11573/1713419 - 2024 -
Conformational and dynamic properties of the KH1 domain of FMRP and its fragile X syndrome linked G266E variant Catalano, Flavia; Santorelli, Daniele; Astegno, Alessandra; Favretto, Filippo; D’Abramo, Marco; Del Giudice, Alessandra; De Sciscio, Maria Laura; Troilo, Francesca; Giardina, Giorgio; Di Matteo, Adele; Travaglini-Allocatelli, Carlo - 01a Articolo in rivista
rivista: BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (Tokyo ; Oxford ; New York ; London ; Amsterdam ; Shannon ; Paris : Elsevier) pp. 1-8 - issn: 1570-9639 - wos: WOS:001233726500001 (0) - scopus: 2-s2.0-85190942366 (0)
11573/1706162 - 2024 -
Modeling the temperature dependence of the fluorescence properties of Indole in aqueous solution Chen, Cheng Giuseppe; Amadei, Andrea; D’Abramo, Marco - 01a Articolo in rivista
rivista: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 1-9 - issn: 1386-1425 - wos: WOS:001208353100001 (0) - scopus: 2-s2.0-85186699403 (0)
11573/1715634 - 2024 -
Binding of steroid substrates reveals the key to the productive transition of the cytochrome P450 OleP Costanzo, Antonella; Fata, Francesca; Freda, Ida; De Sciscio, Maria Laura; Gugole, Elena; Bulfaro, Giovanni; Di Renzo, Matteo; Barbizzi, Luca; Exertier, Cécile; Parisi, Giacomo; D’Abramo, Marco; Vallone, Beatrice; Savino, Carmelinda; Montemiglio, Linda Celeste - 01a Articolo in rivista
rivista: STRUCTURE (London: Current Biology.) pp. 1465-1476 - issn: 0969-2126 - wos: WOS:001309530300001 (0) - scopus: 2-s2.0-85198611397 (0)
11573/1715966 - 2024 -
A spectroscopic and structural study on the solvent-promoted stereospecific self-assembly of new Porphyrin-Bile salt conjugates D'annibale, V.; Piccirillo, L.; Pacini, B.; Sennato, S.; Marconi, C.; Giudice, A. D.; Di Gregorio, M. C.; Schillen, K.; D'abramo, M.; D'annibale, A.; Monti, D.; Galantini, L. - 01a Articolo in rivista
rivista: COLLOIDS AND SURFACES. A, PHYSICOCHEMICAL AND ENGINEERING ASPECTS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 1-13 - issn: 0927-7757 - wos: (0) - scopus: 2-s2.0-85198010376 (0)
11573/1721674 - 2024 -
Supramolecular citrate poly allylamine hydrochloride nanoparticles for citrate delivery and calcium oxalate nanocrystal dissolution Gianvincenzo, Paolo Di; Leyes, Marcos Fernandez; Boonkam, Kamonchat; Puentes, Alejandro Fábrega; Reyes, Santiago Gimenez; Nardi, Alessandro Nicola; Olivieri, Alessio; Pummarin, Siwanut; Kamonsutthipaijit, Nuntaporn; Amenitsch, Heinz; Ritacco, Hernan; D'abramo, Marco; Ortore, Maria Grazia; Boonla, Chanchai; Moya, Sergio E. - 01a Articolo in rivista
rivista: JOURNAL OF COLLOID AND INTERFACE SCIENCE (San Diego: Elsevier
Drive:Orlando, FL: Academic Press Incorporated) pp. 667-678 - issn: 0021-9797 - wos: WOS:001265738100001 (0) - scopus: 2-s2.0-85192684922 (0)
11573/1706159 - 2024 -
A partial human LCK defect causes a T cell immunodeficiency with intestinal inflammation Lui, Victor G.; Hoenig, Manfred; Cabrera-Martinez, Berenice; Baxter, Ryan M.; Garcia-Perez, Josselyn E.; Bailey, Olivia; Acharya, Atanu; Lundquist, Karl; Capera, Jesusa; Matusewicz, Paul; Hartl, Frederike A.; D’Abramo, Marco; Alba, Josephine; Jacobsen, Eva-Maria; Niewolik, Doris; Lorenz, Myriam; Pannicke, Ulrich; Schulz, Ansgar S.; Debatin, Klaus-Michael; Schamel, Wolfgang W.; Minguet, Susana; Gumbart, James C.; Dustin, Michael L.; Cambier, John C.; Schwarz, Klaus; Hsieh, Elena W. Y. - 01a Articolo in rivista
rivista: JOURNAL OF EXPERIMENTAL MEDICINE (Rockefeller University Press:1114 First Avenue, Fourth Floor:New York, NY 10021:(212)327-8572, EMAIL: rupcd@rockvax.rockefeller.edu, INTERNET: http://www.rockefeller.edu/rupress, Fax: (212)327-7944) pp. 1-23 - issn: 0022-1007 - wos: WOS:001113145600001 (4) - scopus: 2-s2.0-85176892386 (5)
11573/1721676 - 2024 -
A Theoretical‐Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature Nardi, Alessandro Nicola; Olivieri, Alessio; D'abramo, Marco; Amadei, Andrea - 01a Articolo in rivista
rivista: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 1-9 - issn: 1439-4235 - wos: WOS:001188999400001 (0) - scopus: 2-s2.0-85188280015 (0)
11573/1721675 - 2024 -
Unveiling the Cleavage Mechanism of an RNA Model Compound on the whole pH Scale: Computations Meet Experiments in the Determination of Reaction Rates Nardi, Alessandro Nicola; Olivieri, Alessio; D'abramo, Marco; Salvio, Riccardo - 01a Articolo in rivista
rivista: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 1-10 - issn: 1439-4235 - wos: WOS:001228697800001 (0) - scopus: 2-s2.0-85193844565 (1)
11573/1711624 - 2024 -
A finely balanced order–disorder equilibrium sculpts the folding–binding landscape of an antibiotic sequestering protein Natarajan, Lawanya; De Sciscio, Maria Laura; Nardi, Alessandro Nicola; Sekhar, Ashok; Del Giudice, Alessandra; D'abramo, Marco; Naganathan, Athi N. - 01a Articolo in rivista
rivista: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (National Academy of Sciences:2101 Constitution Avenue Northwest:Washington, DC 20418:(877)314-2253, (615)377-3322, EMAIL: subspnas@nas.edu, INTERNET: http://www.pnas.org, Fax: (615)377-0525) pp. 1-12 - issn: 0027-8424 - wos: WOS:001235811700002 (0) - scopus: 2-s2.0-85192637766 (0)
11573/1721606 - 2024 -
Theoretical Insights into MutY Glycosylase DNA Repair Mechanism Olivieri, Alessio; Nardi, Alessandro Nicola; D'abramo, Marco - 01a Articolo in rivista
rivista: BIOCHEMISTRY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 1991-1998 - issn: 0006-2960 - wos: WOS:001279950000001 (0) - scopus: 2-s2.0-85198523682 (0)
11573/1688686 - 2023 -
Unveiling the excited state dynamics of Indole in solution Chen, C. G.; Giustini, M.; D'abramo, M.; Amadei, A. - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 4114-4124 - issn: 1549-9618 - wos: WOS:001011505600001 (2) - scopus: 2-s2.0-85164285445 (2)
11573/1684343 - 2023 -
A study of cyanidin/alginate complexation: influence of pH in assembly and chiral properties Chotechuang, Nattida; Di Gianvincenzo, Paolo; Chen, Cheng Giuseppe; Nardi, Alessandro Nicola; Padró, Daniel; Boonla, Chanchai; Ortore, Maria Grazia; D' Abramo, Marco; Moya, Sergio E - 01a Articolo in rivista
rivista: CARBOHYDRATE POLYMERS (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 1-9 - issn: 0144-8617 - wos: WOS:001001292200001 (2) - scopus: 2-s2.0-85158845434 (2)
11573/1678126 - 2023 -
P1 push-pull dye as a case study in QM/MM theoretical characterization for dye-sensitized solar cell organic chromophores** D'annibale, V.; Chen, C. G.; Bonomo, M.; Dini, D.; D'abramo, M. - 01a Articolo in rivista
rivista: CHEMISTRYSELECT (John Wiley & Sons, Inc) pp. - - issn: 2365-6549 - wos: WOS:000962465000001 (2) - scopus: 2-s2.0-85152012814 (3)
11573/1693390 - 2023 -
Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical-Computational Study De Sciscio, Maria Laura; Nardi, Alessandro Nicola; Centola, Fabio; Rossi, Mara; Guarnera, Enrico; D'abramo, Marco - 01a Articolo in rivista
rivista: THE JOURNAL OF PHYSICAL CHEMISTRY. B (Columbus, OH : American Chemical Society, 1997-) pp. 9550-9559 - issn: 1520-5207 - wos: WOS:001098413700001 (2) - scopus: 2-s2.0-85176509378 (2)
11573/1665426 - 2023 -
Effect of salts on the conformational dynamics of the Cytochrome P450 OleP De Sciscio, Maria Laura; Nardi, Alessandro Nicola; Parisi, Giacomo; Bulfaro, Giovanni; Costanzo, Antonella; Gugole, Elena; Exertier, Cécile; Freda, Ida; Savino, Carmelinda; Vallone, Beatrice; Montemiglio, Linda Celeste; D’Abramo, Marco - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. - - issn: 1420-3049 - wos: WOS:000927697700001 (1) - scopus: 2-s2.0-85146781706 (1)
11573/1676448 - 2023 -
Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis Nardi, A. N.; Olivieri, A.; Amadei, A.; Salvio, R.; D'abramo, M. - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-13 - issn: 1420-3049 - wos: WOS:000948158800001 (3) - scopus: 2-s2.0-85149867896 (3)
11573/1689069 - 2023 -
ERAP1 and ERAP2 Haplotypes Influence Suboptimal HLA-B*27:05-Restricted Anti-Viral CD8+ T Cell Responses Cross-Reactive to Self-Epitopes Tedeschi, V.; Paldino, G.; Alba, J.; Molteni, E.; Paladini, F.; Scrivo, R.; Congia, M.; Cauli, A.; Caccavale, R.; Paroli, M.; Di Franco, M.; Tuosto, L.; Sorrentino, R.; D'abramo, M.; Fiorillo, M. T. - 01a Articolo in rivista
rivista: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (Basel (Matthaeustrasse 11) : Molecular Diversity Preservation International MDPI) pp. - - issn: 1661-6596 - wos: WOS:001060658200001 (1) - scopus: 2-s2.0-85170239645 (1)
11573/1660772 - 2022 -
The full model of the pMHC-TCR-CD3 complex. A structural and dynamical characterization of bound and unbound states Alba, Josephine; D'abramo, Marco - 01a Articolo in rivista
rivista: CELLS (Basel: mdpi-Molecular Diversity Preservation International) pp. 1-17 - issn: 2073-4409 - wos: WOS:000777456500001 (3) - scopus: 2-s2.0-85124477872 (4)
11573/1660769 - 2022 -
Atomic-Level View of the Functional Transition in Vertebrate Hemoglobins: The Case of Antarctic Fish Hbs Balasco, Nicole; Paladino, Antonella; Graziano, Giuseppe; D'abramo, Marco; Vitagliano, Luigi - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL INFORMATION AND MODELING (AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036) pp. 3874-3884 - issn: 1549-9596 - wos: WOS:000845996300001 (0) - scopus: 2-s2.0-85136056082 (0)
11573/1634223 - 2022 -
Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein Bo, L.; Milanetti, E.; Chen, C. G.; Ruocco, G.; Amadei, A.; D'abramo, M. - 01a Articolo in rivista
rivista: ACS OMEGA (Washington, D.C. : American Chemical Society, 2016-) pp. 13448-13454 - issn: 2470-1343 - wos: WOS:000812716500001 (4) - scopus: 2-s2.0-85129107149 (4)
11573/1610372 - 2022 -
Theoretical-computational modelling of the L-alanine CD spectrum in water Chen, C. G.; Giustini, M.; Scipioni, A.; Amadei, A.; D'abramo, M. - 01a Articolo in rivista
rivista: COMPUTATIONAL AND THEORETICAL CHEMISTRY (Amsterdam [u.a.] : Elsevier) pp. 1-7 - issn: 2210-271X - wos: WOS:000791286900005 (4) - scopus: 2-s2.0-85123010718 (4)
11573/1617322 - 2022 -
Theoretical modeling of redox potentials of biomolecules Chen, C. G.; Nardi, A. N.; Amadei, A.; D'abramo, M. - 01g Articolo di rassegna (Review)
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-27 - issn: 1420-3049 - wos: WOS:000755042400001 (8) - scopus: 2-s2.0-85124216255 (10)
11573/1643770 - 2022 -
Absorption behavior of doxorubicin hydrochloride in visible region in different environments: a combined experimental and computational study Chen, C. G.; Nardi, A. N.; Giustini, M.; D'abramo, M. - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 12027-12035 - issn: 1463-9076 - wos: WOS:000792835800001 (9) - scopus: 2-s2.0-85131252024 (9)
11573/1676449 - 2022 -
A simplified treatment for efficiently modeling the spectral signal of vibronic transitions: application to aqueous Indole Chen, Cheng Giuseppe; Massimiliano, Aschi; D’Abramo, Marco; Andrea, Amadei - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-19 - issn: 1420-3049 - wos: WOS:000897336300001 (4) - scopus: 2-s2.0-85143659533 (4)
11573/1664893 - 2022 -
PyMM: an open-source python program for QM/MM simulations based on the perturbed matrix method Chen, Cheng Giuseppe; Nardi, Alessandro Nicola; Amadei, Andrea; D’Abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 33-41 - issn: 1549-9626 - wos: WOS:000886598100001 (9) - scopus: 2-s2.0-85142202691 (9)
11573/1670874 - 2022 -
Effects of environmental and electric perturbations on the pKa of thioredoxin cysteine 35: a computational study D'annibale, V.; Fracassi, D.; Marracino, P.; D'inzeo, G.; D'abramo, M. - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 6454- - issn: 1420-3049 - wos: WOS:000866949300001 (0) - scopus: 2-s2.0-85139873970 (1)
11573/1664892 - 2022 -
Theoretical evaluation of sulfur-based reactions as a model for biological antioxidant defense De Sciscio, Maria Laura; D’Annibale, Valeria; D’Abramo, Marco - 01a Articolo in rivista
rivista: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (Basel: MDPI Center) pp. 1-14 - issn: 1422-0067 - wos: WOS:000896382800001 (5) - scopus: 2-s2.0-85143774799 (7)
11573/1657343 - 2022 -
Complexation and organization of doxorubicin on polystyrene sulfonate chains: impacts on doxorubicin dimerization and quenching Gjerde, Natalie Solfrid; Nardi, Alessandro Nicola; Chen, Cheng Giuseppe; Di Gianvincenzo, Paolo; D'abramo, Marco; Scipioni, Anita; Galantini, Luciano; Moya, Sergio E; Giustini, Mauro - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS ([London, England] : Royal Society of Chemistry, 1999-) pp. 25990-25998 - issn: 1463-9084 - wos: WOS:000870311900001 (4) - scopus: 2-s2.0-85141742847 (4)
11573/1600228 - 2022 -
Electric-driven membrane poration. A rationale for water role in the kinetics of pore formation Marracino, P.; Caramazza, L.; Montagna, M.; Ghahri, R.; D'abramo, M.; Liberti, M.; Apollonio, F. - 01a Articolo in rivista
rivista: BIOELECTROCHEMISTRY (Tokyo; New York; Amsterdam: Elsevier) pp. 1-11 - issn: 1567-5394 - wos: WOS:000722127300002 (7) - scopus: 2-s2.0-85119050481 (9)
11573/1607625 - 2022 -
Point mutations at a key site alter the cytochrome P450 oleP structural dynamics Montemiglio, L. C.; Gugole, E.; Freda, I.; Exertier, C.; D'auria, L.; Chen, C. G.; Nardi, A. N.; Cerutti, G.; Parisi, G.; D'abramo, M.; Savino, C.; Vallone, B. - 01a Articolo in rivista
rivista: BIOMOLECULES (Basel: MDPI) pp. 55- - issn: 2218-273X - wos: WOS:000747839400001 (7) - scopus: 2-s2.0-85122022030 (7)
11573/1670471 - 2022 -
Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases Nardi, Alessandro Nicola; D'abramo, Marco; Amadei, Andrea - 01a Articolo in rivista
rivista: MOLECULES (Basel: MDPI
Berlin: Springer, 1996-) pp. 1-23 - issn: 1420-3049 - wos: WOS:000881491800001 (3) - scopus: 2-s2.0-85141586206 (4)
11573/1660770 - 2022 -
Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations Nardi, Alessandro Nicola; Olivieri, Alessio; D'abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 5017-5023 - issn: 1520-6106 - wos: WOS:000829595200001 (7) - scopus: 2-s2.0-85133129705 (8)
11573/1667891 - 2022 -
Role of the membrane anchor in the regulation of Lck activity Porciello, Nicla; Cipria, Deborah; Masi, Giulia; Lanz, Anna-Lisa; Milanetti, Edoardo; Grottesi, Alessandro; Howie, Duncan; Cobbold, Steve P; Schermelleh, Lothar; He, Hai-Tao; D'abramo, Marco; Destainville, Nicolas; Acuto, Oreste; Nika, Konstantina - 01a Articolo in rivista
rivista: JOURNAL OF BIOLOGICAL CHEMISTRY (Bethesda, Md. : American Society for Biochemistry and Molecular Biology) pp. - - issn: 1083-351X - wos: WOS:000897612800003 (5) - scopus: 2-s2.0-85143763498 (5)
11573/1640618 - 2022 -
Bioderived, chiral and stable 1-dimensional light-responsive nanostructures: interconversion between tubules and twisted ribbons Santilli, A.; Lapi, A.; Cautela, J.; D'abramo, M.; Giuseppe Chen, C.; Del Giudice, A.; Sennato, S.; Belic, D.; Hugo Soto Tellini, V.; Schillen, K.; Di Gregorio, M. C.; Galantini, L. - 01a Articolo in rivista
rivista: JOURNAL OF COLLOID AND INTERFACE SCIENCE (San Diego: Elsevier
Drive:Orlando, FL: Academic Press Incorporated) pp. 723-734 - issn: 0021-9797 - wos: WOS:000807198900001 (4) - scopus: 2-s2.0-85130845342 (4)
11573/1564339 - 2021 -
Modelling the activation pathways in full-length Src kinase Alba, Josephine; Montagna, Maria; D’Abramo, Marco - 01a Articolo in rivista
rivista: BIOPHYSICA (Basel: MDPI AG) pp. 238-248 - issn: 2673-4125 - wos: WOS:001274290300001 (2) - scopus: 2-s2.0-85120987393 (2)
11573/1573768 - 2021 -
Quaternary structure transitions of human hemoglobin. An atomic-level view of the functional intermediate states Balasco, N.; Alba, J.; D'abramo, M.; Vitagliano, L. - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL INFORMATION AND MODELING (AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036) pp. 3988-3999 - issn: 1549-9596 - wos: WOS:000688241800024 (6) - scopus: 2-s2.0-85113992237 (6)
11573/1564337 - 2021 -
Exploiting Reaction-Diffusion Conditions to Trigger Pathway Complexity in the Growth of a MOF Calvo Galve, N.; Abrishamkar, A.; Sorrenti, A.; Di Rienzo, L.; Satta, M.; D'abramo, M.; Coronado, E.; De Mello, A. J.; Minguez Espallargas, G.; Puigmarti-Luis, J. - 01a Articolo in rivista
rivista: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 15920-15927 - issn: 1433-7851 - wos: WOS:000651915500001 (19) - scopus: 2-s2.0-85106265291 (21)
11573/1610374 - 2021 -
Theoretical characterization of the reduction potentials of nucleic acids in solution D'annibale, V.; Nardi, A. N.; Amadei, A.; D'abramo, M. - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 1301-1307 - issn: 1549-9618 - wos: WOS:000629135700003 (18) - scopus: 2-s2.0-85101804136 (17)
11573/1474914 - 2021 -
Insights into the interaction mechanism of DTP3 with MKK7 by using STD-NMR and computational approaches Sandomenico, Annamaria; Di Rienzo, Lorenzo; Calvanese, Luisa; Iaccarino, Emanuela; D'auria, Gabriella; Falcigno, Lucia; Chambery, Angela; Russo, Rosita; Franzoso, Guido; Tornatore, Laura; D'abramo, Marco; Ruvo, Menotti; Milanetti, Edoardo; Raimondo, Domenico - 01a Articolo in rivista
rivista: BIOMEDICINES (Basel: MDPI) pp. - - issn: 2227-9059 - wos: WOS:000609863700001 (9) - scopus: 2-s2.0-85099538295 (8)
11573/1448869 - 2020 -
Molecular dynamics simulations reveal canonical conformations in different pMHC/TCR interactions Alba, J.; Di Rienzo, Lorenzo; Milanetti, E.; Acuto, O.; D'abramo, M. - 01a Articolo in rivista
rivista: CELLS (Basel: mdpi-Molecular Diversity Preservation International) pp. 1-15 - issn: 2073-4409 - wos: WOS:000535559500153 (15) - scopus: 2-s2.0-85083406393 (17)
11573/1341758 - 2020 -
C-12 vs C-3 substituted bile salts: an example of the effects of substituent position and orientation on the self-assembly of steroid surfactant isomers Cautela, Jacopo; Severoni, Emilia; Redondo-Gómez, Carlos; Di Gregorio, Maria Chiara; Del Giudice, Alessandra; Sennato, Simona; Angelini, Roberta; D'abramo, Marco; Schillén, Karin; Galantini, Luciano - 01a Articolo in rivista
rivista: COLLOIDS AND SURFACES. B, BIOINTERFACES (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. - - issn: 0927-7765 - wos: WOS:000504505300030 (5) - scopus: 2-s2.0-85074417041 (6)
11573/1392370 - 2020 -
Quantitative characterization of binding pockets and binding complementarity by means of Zernike descriptors Di Rienzo, Lorenzo; Milanetti, Edoardo; Alba, Josephine; D’Abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL INFORMATION AND MODELING (AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036) pp. 1390-1398 - issn: 1549-9596 - wos: WOS:000526390800030 (16) - scopus: 2-s2.0-85080961954 (15)
11573/1610376 - 2020 -
Conformational mobility and efficiency in supramolecular catalysis. A computational approach to evaluate the performances of enzyme mimics Salvio, R.; D'abramo, M. - 01a Articolo in rivista
rivista: EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 6004-6011 - issn: 1434-193X - wos: WOS:000572185300001 (9) - scopus: 2-s2.0-85091375228 (10)
11573/1608670 - 2020 -
DNA cleavage by endonuclease I-DmoI. A QM/MM study and comparison with experimental data provide indications on the environmental effects Segreto, G. E.; Alba, J.; Salvio, R.; D'abramo, M. - 01a Articolo in rivista
rivista: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. 1-7 - issn: 1432-881X - wos: WOS:000520705100001 (8) - scopus: 2-s2.0-85081994675 (9)
11573/1309425 - 2019 -
On the activation and deactivation pathways of the Lck kinase domain: a computational study Alba, Josephine; Milanetti, Edoardo; D'abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (-SPRINGER, VAN GODEWIJCKSTRAAT 30, DORDRECHT, NETHERLANDS, 3311 GZ
-Kluwer Academic Publishers:Journals Department, PO Box 322, 3300 AH Dordrecht Netherlands:011 31 78 6576050, EMAIL: frontoffice@wkap.nl, kluweronline@wkap.nl, INTERNET: http://www.kluwerlaw.com, Fax: 011 31 78 6576254) pp. 597-603 - issn: 0920-654X - wos: WOS:000470674900004 (5) - scopus: 2-s2.0-85065700045 (6)
11573/1347401 - 2019 -
Theoretical-computational modelling of the temperature dependence of the folding-unfolding thermodynamics and kinetics: the case of a trp-cage D'abramo, M.; Del Galdo, S.; Amadei, A. - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 23162-23168 - issn: 1463-9076 - wos: WOS:000492992600048 (5) - scopus: 2-s2.0-85074117631 (5)
11573/1309402 - 2019 -
Evolutionary modes in protein observable space: the case of Thioredoxins Del Galdo, Sara; Alba, Josephine; Amadei, Andrea; D’Abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR EVOLUTION (Springer-Verlag New York Incorporated:175 Fifth Avenue:New York, NY 10010:(212)460-1500, EMAIL: orders@springer-ny.com, INTERNET: http://www.springer-ny.com, Fax: (212)533-3503) pp. 175-183 - issn: 0022-2844 - wos: WOS:000477614300004 (1) - scopus: 2-s2.0-85066326810 (1)
11573/1309420 - 2019 -
Investigating the oxidative refolding mechanism of Cripto-1 CFC domain Iaccarino, Emanuela; Sandomenico, Annamaria; Corvino, Giusy; Focà, Giuseppina; Severino, Valeria; Russo, Rosita; Caporale, Andrea; Raimondo, Domenico; D'abramo, Marco; Alba, Josephine; Chambery, Angela; Ruvo, Menotti - 01a Articolo in rivista
rivista: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (-Attuale :ELSEVIER SCIENCE BV, PO BOX 211, AMSTERDAM, NETHERLANDS, 1000 AE
-Butterworth Heinemann Publishers:Linacre House Jordan Hill, Oxford OX2 8DP United Kingdom:011 44 1865 314569, EMAIL: bhmarketing@repp.co.uk, INTERNET: http://www.laxtonsprices.co.uk, Fax: 011 44 1865 314569) pp. 1179-1189 - issn: 0141-8130 - wos: WOS:000484644100125 (1) - scopus: 2-s2.0-85068842033 (1)
11573/1277998 - 2019 -
The self-association equilibria of doxorubicin at high concentration and ionic strength characterized by fluorescence spectroscopy and molecular dynamics simulations Tasca, Elisamaria; Alba, Josephine; Galantini, Luciano; D’Abramo, Marco; Giuliani, Anna Maria; Amadei, Andrea; Palazzo, Gerardo; Giustini, Mauro - 01a Articolo in rivista
rivista: COLLOIDS AND SURFACES. A, PHYSICOCHEMICAL AND ENGINEERING ASPECTS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 517-522 - issn: 0927-7757 - wos: WOS:000477008000059 (20) - scopus: 2-s2.0-85067798736 (20)
11573/1296436 - 2019 -
Unusual placement of an EBV Epitope into the groove of the ankylosing spondylitis-associated HLA-B27 allele allows CD8+ T cell activation Tedeschi, Valentina; Alba, Josephine; Paladini, Fabiana; Paroli, Marino; Cauli, Alberto; Mathieu, Alessandro; Sorrentino, Rosa; D'abramo, Marco; Fiorillo, Maria Teresa - 01a Articolo in rivista
rivista: CELLS (Basel: mdpi-Molecular Diversity Preservation International) pp. - - issn: 2073-4409 - wos: WOS:000475309200060 (8) - scopus: 2-s2.0-85080953471 (10)
11573/1010652 - 2018 -
Density discriminates between thermophilic and mesophilic proteins Amadei, Andrea; Del Galdo, Sara; D'abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (Guilderland, NY: Adenine Press) pp. 3265-3273 - issn: 0739-1102 - wos: WOS:000451749300020 (9) - scopus: 2-s2.0-85031420023 (13)
11573/1203039 - 2018 -
Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD Del Caño-Ochoa, Francisco; Grande-García, Araceli; Reverte-López, María; D'abramo, Marco; Ramón-Maiques, Santiago - 01a Articolo in rivista
rivista: THE JOURNAL OF BIOLOGICAL CHEMISTRY (American Society for Biochemistry and Molecular Biology:9650 Rockville Pike:Bethesda, MD 20814:(301)530-7145, EMAIL: asbmb@asbmb.faseb.org, INTERNET: http://www.faseb.org/asbmb, Fax: (301)571-1824) pp. 18903-18913 - issn: 0021-9258 - wos: WOS:000458467400008 (16) - scopus: 2-s2.0-85058149360 (18)
11573/1100475 - 2018 -
2‐(Hydroxyimino)aldehydes: photochemical and physico‐chemical properties of a versatile functional group for monomer design Gentili, Patrizia; Nardi, Martina; Antignano, Irene; Cambise, Paolo; D'abramo, Marco; D'acunzo, Francesca; Pinna, Alessandro; Ussia, Emanuele - 01a Articolo in rivista
rivista: CHEMISTRY (Weinheim: Wiley-VCH-Verl..) pp. 7683-7694 - issn: 1521-3765 - wos: WOS:000434089500017 (6) - scopus: 2-s2.0-85048040565 (6)
11573/1068026 - 2018 -
Fluorescence and computational studies of thymidine phosphorylase affinity toward lipidated 5-FU derivatives Lettieri, R.; D'abramo, M.; Stella, L.; La Bella, A.; Leonelli, F.; Giansanti, L.; Venanzi, M.; Gatto, E. - 01a Articolo in rivista
rivista: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (Elsevier Science Limited:Oxford Fulfillment Center, PO Box 800, Kidlington Oxford OX5 1DX United Kingdom:011 44 1865 843000, 011 44 1865 843699, EMAIL: asianfo@elsevier.com, tcb@elsevier.co.UK, INTERNET: http://www.elsevier.com, http://www.elsevier.com/locate/shpsa/, Fax: 011 44 1865 843010) pp. 84-94 - issn: 1386-1425 - wos: WOS:000427217500013 (6) - scopus: 2-s2.0-85041445668 (6)
11573/1162036 - 2018 -
Efficient and Accurate Modeling of Conformational Transitions in Proteins: The Case of c-Src Kinase Milanetti, Edoardo; Trandafir, Alexandra G.; Alba, Josephine; Raimondo, Domenico; D'abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 8853-8860 - issn: 1520-6106 - wos: WOS:000446141600009 (7) - scopus: 2-s2.0-85053681794 (7)
11573/1132202 - 2018 -
Understanding the indirect DNA read-out specificity of I-CreI Meganuclease Prieto, Jesús; Redondo, Pilar; López-Méndez, Blanca; D'abramo, Marco; Merino, Nekane; Blanco, Francisco J.; Duchateau, Phillipe; Montoya, Guillermo; Molina, Rafael - 01a Articolo in rivista
rivista: SCIENTIFIC REPORTS (London: Springer Nature
London: Nature Publishing Group) pp. 10286- - issn: 2045-2322 - wos: WOS:000437673200060 (11) - scopus: 2-s2.0-85049652769 (11)
11573/1107935 - 2018 -
A stereochemically driven supramolecular polymerization Tasca, Elisamaria; D'abramo, Marco; Galantini, Luciano; Giuliani, Anna Maria; Pavel, Nicolae Viorel; Palazzo, Gerardo; Giustini, Mauro - 01a Articolo in rivista
rivista: CHEMISTRY-A EUROPEAN JOURNAL (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 8195-8204 - issn: 0947-6539 - wos: WOS:000437268400024 (14) - scopus: 2-s2.0-85048334438 (14)
11573/1162042 - 2018 -
Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory Zanetti Polzi, Laura; Del Galdo, Sara; Daidone, Isabella; D'abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 24369-24378 - issn: 1463-9076 - wos: WOS:000446766300051 (50) - scopus: 2-s2.0-85054098923 (50)
11573/1123477 - 2017 -
Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI Alba, Josephine; Marcaida, Maria Jose; Prieto, Jesus; Montoya, Guillermo; Molina, Rafael; D’Abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (-SPRINGER, VAN GODEWIJCKSTRAAT 30, DORDRECHT, NETHERLANDS, 3311 GZ
-Kluwer Academic Publishers:Journals Department, PO Box 322, 3300 AH Dordrecht Netherlands:011 31 78 6576050, EMAIL: frontoffice@wkap.nl, kluweronline@wkap.nl, INTERNET: http://www.kluwerlaw.com, Fax: 011 31 78 6576254) pp. 1063-1072 - issn: 0920-654X - wos: WOS:000418800700003 (2) - scopus: 2-s2.0-85034848753 (2)
Tasca, Elisamaria; Giustini, Mauro; D'abramo, Marco; Galantini, Luciano; Palazzo, Gerardo - 04f Poster
congresso: 16th European Student Colloid Conference - ESC (Firenze)
libro: Conference Handbook ESC 2017 - ()
11573/1016881 - 2016 -
Photoinduced electron transfer in a dichromophoric peptide: a numerical experiment Aschi, Massimiliano; D'abramo, Marco; Amadei, Andrea - 01a Articolo in rivista
rivista: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. - - issn: 1432-881X - wos: WOS:000374849300001 (15) - scopus: 2-s2.0-84964226654 (13)
11573/946007 - 2016 -
Equilibrium between 5- and 6-fold coordination in the first hydration shell of Cu(II) Chillemi, Giovanni; Pace, Elisabetta; D'abramo, Marco; Benfatto, Maurizio - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY (American Chemical Society:1155 Sixteenth Street Northwest:Washington, DC 20036:(800)227-5558, EMAIL: service@acs.org, INTERNET: http://www.pubs.acs.org, Fax: (614)447-3671) pp. 3958-3965 - issn: 1089-5639 - wos: WOS:000377842700015 (13) - scopus: 2-s2.0-84973904818 (17)
11573/831874 - 2016 -
The p53 tetramer shows an induced-fit interaction of the C-terminal domain with the DNA-binding domain D'abramo, Marco; Bešker, N; Desideri, A; Levine, A. J; Melino, G; Chillemi, G. - 01a Articolo in rivista
rivista: ONCOGENE (Macmillan Magazines Limited:Porters South Crinian Street, London N1 9XW United Kingdom:011 44 207 8334000, 011 44 171 8434982, Fax: 011 44 207 812358) pp. 3272-3281 - issn: 0950-9232 - wos: WOS:000378306400006 (38) - scopus: 2-s2.0-84975717995 (41)
11573/946006 - 2016 -
Effect of DNA on the conformational dynamics of the endonucleases I-DmoI as provided by molecular dynamics simulations Grottesi, Alessandro; Cecconi, Simone; Molina, Rafael; D'abramo, Marco - 01a Articolo in rivista
rivista: BIOPOLYMERS (John Wiley & Sons Incorporated:Customer Service, 111 River Street:Hoboken, NJ 07030:(800)225-5945, (201)748-6000, EMAIL: societyinfo@wiley.com, INTERNET: http://www.wiley.com, Fax: (212)748-6551) pp. 898-904 - issn: 0006-3525 - wos: WOS:000384669300001 (1) - scopus: 2-s2.0-84988354981 (1)
11573/932972 - 2016 -
Key players in I-DmoI endonuclease catalysis revealed from structure and dynamics Molina, Rafael; Besker, Neva; Marcaida, Maria Jose; Montoya, Guillermo; Prieto, Jesús; D'abramo, Marco - 01a Articolo in rivista
rivista: ACS CHEMICAL BIOLOGY (AMERICAN CHEMICAL SOCiety, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036) pp. 1401-1407 - issn: 1554-8929 - wos: WOS:000376473600029 (8) - scopus: 2-s2.0-84971254285 (8)
11573/843421 - 2016 -
Kinetics and mechanistic study of competitive inhibition of thymidinephosphorylase by 5-fluoruracil derivatives Petaccia, Manuela; Gentili, Patrizia; Beˇskerc, Neva; D'abramo, Marco; Giansanti, Luisa; Leonelli, Francesca; Bella, Angela La; Villalva, Denise Gradella; Mancini, Giovanna - 01a Articolo in rivista
rivista: COLLOIDS AND SURFACES. B, BIOINTERFACES (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 121-127 - issn: 0927-7765 - wos: WOS:000371445500014 (11) - scopus: 2-s2.0-84952673641 (10)
11573/815024 - 2015 -
Theoretical calculation of the pyrene emission properties in different solvents D'abramo, Marco; Aschi, Massimiliano; Amadei, Andrea - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 17-22 - issn: 0009-2614 - wos: WOS:000365814400004 (12) - scopus: 2-s2.0-84941212790 (12)
11573/946008 - 2015 -
In silico characterization of protein partial molecular volumes and hydration shells Del Galdo, Sara; Marracino, Paolo; D'abramo, Marco; Amadei, Andrea - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 31270-31277 - issn: 1463-9076 - wos: WOS:000365401700054 (36) - scopus: 2-s2.0-84947773274 (37)
11573/782166 - 2015 -
Molecular dynamics study of naturally existing cavity couplings in proteins M., Barbany; T., Meyer; A., Hospital; I., Faustino; D'abramo, Marco; J., Morata; M., Orozco; X., De La Cruz - 01a Articolo in rivista
rivista: PLOS ONE (San Francisco, CA : Public Library of Science) pp. - - issn: 1932-6203 - wos: WOS:000352133600023 (8) - scopus: 2-s2.0-84928910472 (9)
11573/815300 - 2015 -
Role of the hydrophilic spacer of glucosylated amphiphiles included in liposome formulations in the recognition of Concanavalin A Mauceri, Alessandro; Fracassi, Alessandro; D'abramo, Marco; Borocci, Stefano; Giansanti, Luisa; Piozzi, Antonella; Galantini, Luciano; Martino, Antonio; D'aiuto, Virginia; Mancini, Giovanna - 01a Articolo in rivista
rivista: COLLOIDS AND SURFACES. B, BIOINTERFACES (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 232-239 - issn: 0927-7765 - wos: WOS:000367408100030 (11) - scopus: 2-s2.0-84942256404 (11)
11573/788328 - 2015 -
Engineering a nickase on the homing endonuclease I-DmoI scaffold Molina, Rafael; Marcaida, María José; Redondo, Pilar; Marenchino, Marco; Duchateau, Phillippe; D'abramo, Marco; Montoya, Guillermo; Prieto, Jesús - 01a Articolo in rivista
rivista: THE JOURNAL OF BIOLOGICAL CHEMISTRY (American Society for Biochemistry and Molecular Biology:9650 Rockville Pike:Bethesda, MD 20814:(301)530-7145, EMAIL: asbmb@asbmb.faseb.org, INTERNET: http://www.faseb.org/asbmb, Fax: (301)571-1824) pp. 18534-18544 - issn: 0021-9258 - wos: WOS:000358512100025 (7) - scopus: 2-s2.0-84937706331 (9)
11573/556492 - 2014 -
Molecular mechanisms of activation in CDK2 Bešker, Neva; Amadei, Andrea; D'abramo, Marco - 01a Articolo in rivista
rivista: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (Guilderland, NY: Adenine Press) pp. 1929-1935 - issn: 0739-1102 - wos: WOS:000340447600004 (13) - scopus: 2-s2.0-84906316802 (13)
11573/629783 - 2014 -
Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: Explicit treatment of the vibronic transitions D’Abramo, Marco; Aschi, Massimiliano; Amadei, Andrea - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. - - issn: 0021-9606 - wos: WOS:000336047700011 (43) - scopus: 2-s2.0-84899888294 (44)
libro: The Journal of Chemical Physics - ()
11573/629784 - 2014 -
Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges D'abramo, Marco; Besker, Neva; Chillemi, Giovanni; Grottesi, Alessandro - 01a Articolo in rivista
rivista: FRONTIERS IN GENETICS (Lausanne : Frontiers Research Foundation, 2010-) pp. 128-1-128-5 - issn: 1664-8021 - wos: WOS:000347060100001 (15) - scopus: 2-s2.0-84905658166 (14)
11573/629787 - 2014 -
Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution G., Piacente; A., Amadei; D'abramo, Marco; I., Daidone; M., Aschi - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 20624-20638 - issn: 1463-9076 - wos: WOS:000342072300043 (12) - scopus: 2-s2.0-84920842676 (13)
libro: Phys. Chem. Chem. Phys. - ()
11573/556477 - 2013 -
Molecular dynamics of the full-length p53 monomer Chillemi, G.; P., Davidovich; D'abramo, Marco; Mametnabiev, T; Garabadzhiu, Av; Desideri, A; Melino, G. - 01a Articolo in rivista
rivista: CELL CYCLE (Landes Bioscience, c2002, Georgetown, TX) pp. 3098-3108 - issn: 1538-4101 - wos: WOS:000330528200027 (29) - scopus: 2-s2.0-84884831789 (29)
11573/556480 - 2013 -
On the nature of DNA hyperchromic effect D'abramo, Marco; C. L., Castellazzi; M., Orozco; A., Amadei - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 8697-8704 - issn: 1520-6106 - wos: WOS:000322505200006 (40) - scopus: 2-s2.0-84880773452 (45)
11573/556441 - 2012 -
Conformational Selection versus Induced Fit in Kinases: The Case of PI3K-gamma D'abramo, Marco; O., Rabal; J., Oyarzabal; F., Gervasio - 01a Articolo in rivista
rivista: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 642-646 - issn: 1433-7851 - wos: WOS:000299034200007 (13) - scopus: 2-s2.0-84855765478 (16)
11573/556439 - 2012 -
Non-specific protein-DNA interactions control I-CreI target binding and cleavage Molina, Rafael; Redondo, Pilar; Stella, Stefano; Marenchino, Marco; D'abramo, Marco; Gervasio, Francesco Luigi; Epinat, Jean Charles; Valton, Julien; Grizot, Silvestre; Duchateau, Phillipe; Prieto, Jesús; Montoya, Guillermo - 01a Articolo in rivista
rivista: NUCLEIC ACIDS RESEARCH (Oxford University Press:Journals Department, Great Clarendon Street, Oxford OX2 6DP United Kingdom:011 44 1865 556767, EMAIL: jnlorders@oup.co.uk, INTERNET: http://www.oup.co.uk, Fax: 011 44 1865 267485
Editore precedente:
Information Retrieval ltd., London) pp. 6936-6945 - issn: 0305-1048 - wos: WOS:000307504700052 (22) - scopus: 2-s2.0-84864944748 (22)
11573/556435 - 2011 -
Effects of local electric fields on the redox free energy of single stranded DNA D'abramo, Marco; M., Orozco; A., Amadei - 01a Articolo in rivista
rivista: CHEMICAL COMMUNICATIONS (Royal Society of Chemistry:Thomas Graham House, Science Park, Cambridge CB4 0WF United Kingdom:011 44 1223 432360, EMAIL: sales@rsc.org, INTERNET: http://www.rsc.org, http://www.chensoc.org, Fax: 011 44 1223 423429) pp. 2646-2648 - issn: 1359-7345 - wos: WOS:000287409800049 (9) - scopus: 2-s2.0-79952257688 (8)
11573/556437 - 2011 -
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus Munoz, Ines G.; Prieto, Jesus; Subramanian, Sunita; Coloma, Javier; Redondo, Pilar; Villate, Maider; Merino, Nekane; Marenchino, Marco; D'abramo, Marco; Gervasio, Francesco L.; Grizot, Sylvestre; Daboussi, Fayza; Smith, Julianne; Chion Sotinel, Isabelle; Paques, Frederic; Duchateau, Philippe; Alibes, Andreu; Stricher, Francois; Serrano, Luis; Blanco, Francisco J.; Montoya, Guillermo - 01a Articolo in rivista
rivista: NUCLEIC ACIDS RESEARCH (Oxford University Press:Journals Department, Great Clarendon Street, Oxford OX2 6DP United Kingdom:011 44 1865 556767, EMAIL: jnlorders@oup.co.uk, INTERNET: http://www.oup.co.uk, Fax: 011 44 1865 267485
Editore precedente:
Information Retrieval ltd., London) pp. 729-743 - issn: 0305-1048 - wos: WOS:000286675300036 (51) - scopus: 2-s2.0-79551491956 (58)
11573/671832 - 2011 -
Contributions of Structure Comparison Methods to the Protein Structure Prediction Field Piedra, David; D'abramo, Marco; De La Cruz, Xavier - 02a Capitolo o Articolo
libro: Computational Biology and Applied Bioinformatics - (978-953-307-629-4)
11573/556508 - 2010 -
MoDEL (Molecular Dynamics Extended Library): A Database of Atomistic Molecular Dynamics Trajectories Meyer, Tim; D'abramo, Marco; Hospital, Adam; Rueda, Manuel; Ferrer Costa, Carles; Perez, Alberto; Carrillo, Oliver; Camps, Jordi; Fenollosa, Caries; Repchevsky, Dmitry; Gelpi, Josep Lluis; Orozco, Modesto - 01a Articolo in rivista
rivista: STRUCTURE (London: Current Biology.) pp. 1399-1409 - issn: 0969-2126 - wos: WOS:000284435100004 (113) - scopus: 2-s2.0-78149459697 (124)
11573/556433 - 2010 -
Structural Characterization of Protein-Protein Complexes by Integrating Computational Docking with Small-angle Scattering Data Pons, Carles; D'abramo, Marco; Svergun, Dmitri I.; Orozco, Modesto; Bernadó, Pau; Fernández Recio, Juan - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR BIOLOGY (-LONDON, ENGLAND: ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD,
-London; New York: Academic Press.) pp. 217-230 - issn: 0022-2836 - wos: WOS:000283525300005 (56) - scopus: 2-s2.0-77957221991 (60)
11573/982825 - 2010 -
Comparing the efficiency of biased and unbiased molecular dynamics in reconstructing the free energy landscape of Met-enkephalin Sutto, Ludovico; D'abramo, Marco; Gervasio, Francesco Luigi - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 3640-3646 - issn: 1549-9618 - wos: WOS:000285217000003 (47) - scopus: 2-s2.0-78651327755 (49)
11573/556463 - 2009 -
Theoretical characterization of electronic states in interacting chemical systems Amadei, Andrea; D'alessandro, Maira; D'abramo, Marco; Aschi, Massimiliano - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 084109-1-084109-10 - issn: 0021-9606 - wos: WOS:000263804200014 (63) - scopus: 2-s2.0-61449179358 (66)
11573/982815 - 2009 -
FlexServ: An integrated tool for the analysis of protein flexibility Camps, Jordi; Carrillo, Oliver; Emperador, Agustí; Orellana, Laura; Hospital, Adam; Rueda, Manuel; Cicin Sain, Damjan; D'abramo, Marco; Gelpí, Josep Lluís; Orozco, Modesto - 01a Articolo in rivista
rivista: BIOINFORMATICS (-Oxford : Oxford University Press, 1998-) pp. 1709-1710 - issn: 1367-4803 - wos: WOS:000267213300018 (69) - scopus: 2-s2.0-67649236681 (73)
11573/982819 - 2009 -
Charge transfer equilibria of aqueous single stranded DNA D'abramo, Marco; Aschi, Massimiliano; Amadei, Andrea - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 10614-10618 - issn: 1463-9076 - wos: WOS:000271907200008 (6) - scopus: 2-s2.0-70450285209 (7)
11573/226071 - 2009 -
What can we learn by comparing experimental and theoretical-computational X-ray scattering data? D'abramo, Marco; Caminiti, Ruggero; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 9-12 - issn: 0167-7322 - wos: WOS:000262796900003 (3) - scopus: 2-s2.0-57149139828 (3)
11573/18743 - 2009 -
Kinetics of Carbon Monoxide Migration and Binding in Solvated Myoglobin as Revealed by Molecular Dynamics Simulations and Quantum Mechanical Calculations D'abramo, Marco; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 16346-16353 - issn: 1520-6106 - wos: WOS:000272713000009 (17) - scopus: 2-s2.0-72949102271 (17)
11573/781587 - 2009 -
On the use of low-resolution data to improve structure prediction of proteins and protein complexes D'abramo, Marco; Meyer, Tim; Bernadó, Pau; Pons, Carles; Recio, Juan Fernández; Orozco, Modesto - 01a Articolo in rivista
rivista: JOURNAL OF CHEMICAL THEORY AND COMPUTATION (Washington, D.C. : American Chemical Society, 2005-) pp. 3129-3137 - issn: 1549-9618 - wos: WOS:000271522500023 (8) - scopus: 2-s2.0-73949141516 (8)
11573/556464 - 2009 -
Theoretical Characterization of the Dynamical Behavior and Transport Properties of alpha,gamma-Peptide Nanotubes in Solution Garcia Fandino, Rebeca; Granja, Juan R; D'abramo, Marco; Orozco, Modesto - 01a Articolo in rivista
rivista: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 15678-15686 - issn: 0002-7863 - wos: WOS:000271513600037 (44) - scopus: 2-s2.0-70350639426 (46)
11573/228345 - 2008 -
Mixed quantum-classical methods for molecular simulations of biochemical reactions with microwave fields: the case study of myoglobin Apollonio, Francesca; Liberti, Micaela; Amadei, Andrea; Aschi, Massimiliano; Pellegrino, Monica; D'alessandro, Maira; D'abramo, Marco; Di Nola, Alfredo; D'inzeo, Guglielmo - 01a Articolo in rivista
rivista: IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES (IEEE / Institute of Electrical and Electronics Engineers Incorporated:445 Hoes Lane:Piscataway, NJ 08854:(800)701-4333, (732)981-0060, EMAIL: subscription-service@ieee.org, INTERNET: http://www.ieee.org, Fax: (732)981-9667) pp. 2511-2520 - issn: 0018-9480 - wos: WOS:000261009100014 (31) - scopus: 2-s2.0-55849108106 (33)
11573/17316 - 2008 -
Intramolecular charge transfer in π-conjugated oligomers: a theoretical study on the effect of temperature and oxidation state Aschi, Massimiliano; D'alessandro, Maira; Pellegrino, Monica; Di Nola, Alfredo; D'abramo, Marco; Amadei, Andrea - 01a Articolo in rivista
rivista: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. 469-476 - issn: 1432-881X - wos: WOS:000254406400008 (7) - scopus: 2-s2.0-43349085764 (7)
11573/17314 - 2008 -
Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: Comparison with recent experimental data. D'abramo, Marco; Di Nola, Alfredo; Aschi, Massimiliano; Amadei, Andrea - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 021103-1-021103-5 - issn: 0021-9606 - wos: WOS:000252450100003 (21) - scopus: 2-s2.0-38349074403 (22)
11573/18436 - 2007 -
Theoretical study of intramolecular charge transfer in π-conjugated oligomers Amadei, Andrea; D'abramo, Marco; Di Nola, Alfredo; Arcadi, Antonio; Cerichelli, Giorgio; Aschi, Massimiliano - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 194-199 - issn: 0009-2614 - wos: WOS:000244147000005 (10) - scopus: 2-s2.0-33846331231 (10)
11573/17311 - 2007 -
Theoretical prediction of thermodynamic equilibrium constants of chemical reactions in water. D'abramo, Marco; Aschi, Massimiliano; Marinelli, Fabrizio; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM (Tokyo ; Oxford ; New York ; London ; Amsterdam : Elsevier) pp. 197-201 - issn: 0166-1280 - wos: WOS:000247053500024 (2) - scopus: 2-s2.0-34248173815 (3)
11573/556445 - 2007 -
Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding-unbinding reaction in Myoglobin D'abramo, Marco; Daidone, Isabella; D'alessandro, Maira; Di Nola, Alfredo; Aschi, Massimiliano - 01a Articolo in rivista
rivista: THEORETICAL CHEMISTRY ACCOUNTS (Springer Verlag Germany:Tiergartenstrasse 17, D 69121 Heidelberg Germany:011 49 6221 3450, EMAIL: g.braun@springer.de, INTERNET: http://www.springer.de, Fax: 011 49 6221 345229) pp. 637-647 - issn: 1432-881X - wos: WOS:000246176100004 (26) - scopus: 2-s2.0-34247565602 (28)
11573/237421 - 2007 -
Molecular simulations for studying microwaves field effects in ligand binding properties in myoglobin Pellegrino, Monica; D'alessandro, Maira; D'abramo, Marco; Apollonio, Francesca; Liberti, Micaela; Amadei, Andrea; Aschi, Massimiliano; Di Nola, Alfredo; D'inzeo, Guglielmo - 04d Abstract in atti di convegno
congresso: The Bioelectromagnetics Society 29th Annual Meeting (Kanazawa, Japan)
libro: Proceedings of Bioelectromagnetics Society (BEMS), XXIX Annual Meeting - ()
11573/240816 - 2006 -
Myoglobin as a case study for molecular simulations in the presence of a microwave electromagnetic field Apollonio, Francesca; D'abramo, Marco; Liberti, Micaela; Amadei, Andrea; Di Nola, Alfredo; D'inzeo, Guglielmo - 04c Atto di convegno in rivista
rivista: IEEE MTT-S INTERNATIONAL MICROWAVE SYMPOSIUM DIGEST (IEEE / Institute of Electrical and Electronics Engineers Incorporated:445 Hoes Lane:Piscataway, NJ 08854:(800)701-4333, (732)981-0060, EMAIL: subscription-service@ieee.org, INTERNET: http://www.ieee.org, Fax: (732)981-9667) pp. 1746-1749 - issn: 0149-645X - wos: WOS:000244379004021 (8) - scopus: 2-s2.0-34250340930 (9)
congresso: IEEE MTT-S International Microwave Symposium (San Francisco, CA)
libro: 2006 IEEE MTT-S International Microwave Symposium Digest - (9780780395411)
11573/18439 - 2006 -
Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde Aschi, Massimiliano; D'abramo, Marco; Ramondo, Fabio; Daidone, Isabella; D'alessandro, Maira; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (John Wiley & Sons Limited:1 Oldlands Way, Bognor Regis, P022 9SA United Kingdom:011 44 1243 779777, EMAIL: cs-journals@wiley.co.uk, INTERNET: http://www.wiley.co.uk, Fax: 011 44 1243 843232) pp. 518-530 - issn: 0894-3230 - wos: WOS:000243647800011 (27) - scopus: 2-s2.0-33846502070 (28)
congresso: 10th European Symposium on Organic Reactivity ( ESOR-10) (Rome, ITALY)
11573/17247 - 2006 -
On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: acetone in water D'abramo, Marco; Aschi, Massimiliano; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 289-294 - issn: 0009-2614 - wos: WOS:000238734200013 (5) - scopus: 2-s2.0-33745010649 (6)
11573/241193 - 2006 -
Conformational behaviour of Temporin A and Temporin L in aqueous solution: a computational/experimental study D'abramo, Marco; Rinaldi, Andrea C.; Bozzi, Argante; Mignogna, Giuseppina; Di Nola, Alfredo; Amadei, Andrea; Aschi, Massimiliano - 01a Articolo in rivista
rivista: BIOPOLYMERS (John Wiley & Sons Incorporated:Customer Service, 111 River Street:Hoboken, NJ 07030:(800)225-5945, (201)748-6000, EMAIL: societyinfo@wiley.com, INTERNET: http://www.wiley.com, Fax: (212)748-6551) pp. 215-224 - issn: 0006-3525 - wos: WOS:000235041200007 (26) - scopus: 2-s2.0-33644531547 (27)
11573/556462 - 2006 -
Theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution Zazza, Costantino; Amadei, Andrea; Sanna, Nico; Grandi, Andrea; Chillemi, Giovanni; Di Nola, Alfredo; D'abramo, Marco; Aschi, Massimiliano - 01a Articolo in rivista
rivista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS (Thomas Graham House, Science Park, Cambridge: Royal Society of Chemistry) pp. 1385-1393 - issn: 1463-9076 - wos: WOS:000236033600004 (37) - scopus: 2-s2.0-33746304162 (41)
11573/364422 - 2005 -
Theoretical modeling of vibroelectronic quantum states in complex molecular systems: Solvated carbon monoxide, a test case Amadei, Andrea; Marinelli, Fabrizio; D'abramo, Marco; D'alessandro, Maira; Anselmi, Massimiliano; Di Nola, Alfredo; Aschi, Massimiliano - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 124506-1-124506-10 - issn: 0021-9606 - wos: WOS:000228287900034 (30) - scopus: 2-s2.0-17444426056 (32)
11573/19553 - 2005 -
Theoretical characterisation of the electronic excitation in liquid water Aschi, Massimiliano; D'abramo, Marco; Di Teodoro, Carla; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: CHEMPHYSCHEM (Wiley-VCH Verlag GmBH:PO Box 101161, D 69451 Weinheim Germany:011 49 6201 606147, EMAIL: service@wiley-vch.de, INTERNET: http://www.wiley-vch.de, Fax: 011 49 6201 606328) pp. 53-58 - issn: 1439-4235 - wos: WOS:000226473800006 (29) - scopus: 2-s2.0-13444291193 (31)
11573/19324 - 2005 -
Calculation of the Optical Rotatory Dispersion of solvated alanine by means of the Perturbed Matrix Method D'abramo, Marco; Aschi, Massimiliano; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 559-563 - issn: 0009-2614 - wos: WOS:000226719100050 (8) - scopus: 2-s2.0-12344309332 (8)
11573/19554 - 2005 -
Characterization of liquid behaviour by means of local density fluctuations D'abramo, Marco; D'alessandro, Maira; Di Nola, Alfredo; Roccatano, Danilo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF MOLECULAR LIQUIDS (Amsterdam, Netherlands: Elsevier BV) pp. 17-21 - issn: 0167-7322 - wos: WOS:000227263400003 (2) - scopus: 2-s2.0-13444259798 (2)
11573/19555 - 2005 -
Theoretical characterization of α-helix and β-hairpin folding kinetics Daidone, Isabella; D'abramo, Marco; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY ([Washington, USA: American Chemical Society] 1879-) pp. 14825-14832 - issn: 0002-7863 - wos: WOS:000232780900058 (42) - scopus: 2-s2.0-27144487765 (43)
11573/982824 - 2005 -
Theoretical study of the thermodynamics of a solvated peptide: Contryphan Vn D'alessandro, Maira; D'abramo, Marco; Paci, Maurizio; Amadei, Andrea - 04c Atto di convegno in rivista
rivista: PHYSICA SCRIPTA (Royal Swedish Academy of Sciences:Publications Department, Box 50005, S-104 05 Stockholm Sweden:011 46 8 1664480, INTERNET: http://www.kva.se/eng/index.html, Fax: 011 46 8 166405, 011 46 8 6739590) pp. 196-198 - issn: 0031-8949 - wos: WOS:000236906800052 (1) - scopus: 2-s2.0-42249109036 (1)
congresso: 1st International Meeting on Applied Physics (Badajoz, SPAIN)
11573/19558 - 2005 -
Ground and excited electronic state thermodynamics of aqueous carbon monixide: a theoretical study D'alessandro, Maira; Marinelli, Fabrizio; D'abramo, Marco; Aschi, Massimiliano; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 124507-1-124507-6 - issn: 0021-9606 - wos: WOS:000228287900035 (6) - scopus: 2-s2.0-17444418604 (6)
11573/556438 - 2004 -
On the use of the quasi Gaussian entropy theory in the study of simulated dilute solutions. D'abramo, Marco; D'alessandro, Maira; Amadei, Andrea - 01a Articolo in rivista
rivista: THE JOURNAL OF CHEMICAL PHYSICS (American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL: subs@aip.org, INTERNET: http://www.aip.org, Fax: (516)349-9704) pp. 5526-5531 - issn: 0021-9606 - wos: WOS:000220225000030 (10) - scopus: 2-s2.0-1842782491 (9)
11573/556436 - 2003 -
Electronic properties of Formaldehyde in water: a theoretical study Amadei, Andrea; D'abramo, Marco; Zazza, Costantino; Aschi, Massimiliano - 01a Articolo in rivista
rivista: CHEMICAL PHYSICS LETTERS (Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL: nlinfo-f@elsevier.nl, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598) pp. 187-193 - issn: 0009-2614 - wos: WOS:000186450600026 (42) - scopus: 2-s2.0-0242365433 (43)
11573/556434 - 2002 -
Statistical mechanics and thermodynamics of simulated ionic solutions D'alessandro, Maira; D'abramo, Marco; Brancato, Giuseppe; Di Nola, Alfredo; Amadei, Andrea - 01a Articolo in rivista
rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. 11843-11848 - issn: 1520-6106 - wos: WOS:000179180400020 (13) - scopus: 2-s2.0-0037079165 (15)