11573/1734618 - 2025 -
Ligand specificity in Saccaromices cerevisiae G-Protein coupled receptor binding site design Di Rienzo, Lorenzo; Miotto, Mattia; Milanetti, Edoardo; Ruocco, Giancarlo - 01a Articolo in rivista
paper: PHILOSOPHICAL MAGAZINE (Taylor & Francis Limited:Rankine Road, Basingstoke RG24 8PR United Kingdom:011 44 1256 813035, EMAIL: madeline.sims@tandf.co.uk, info@tandf.co.uk, INTERNET: http://www.tandf.co.uk, Fax: 011 44 1256 330245) pp. 1-13 - issn: 1478-6435 - wos: WOS:001432666300001 (0) - scopus: 2-s2.0-85218897852 (0)
11573/1734302 - 2025 -
Compact assessment of molecular surface complementarities enhances neural network-aided prediction of key binding residues Grassmann, Greta; Di Rienzo, Lorenzo; Ruocco, Giancarlo; Miotto, Mattia; Milanetti, Edoardo - 01a Articolo in rivista
paper: JOURNAL OF CHEMICAL INFORMATION AND MODELING (AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036) pp. 1-15 - issn: 1549-9596 - wos: (0) - scopus: (0)
11573/1701931 - 2024 -
Computational evidences of a misfolding event in an aggregation‐prone light chain preceding the formation of the non‐native pathogenic dimer Desantis, Fausta; Miotto, Mattia; Milanetti, Edoardo; Ruocco, Giancarlo; Di Rienzo, Lorenzo - 01a Articolo in rivista
paper: PROTEINS (New York, NY : John Wiley & Sons) pp. - - issn: 1097-0134 - wos: WOS:001157213300001 (1) - scopus: 2-s2.0-85184208702 (1)
11573/1713072 - 2024 -
Computational Approaches to Predict Protein–Protein Interactions in Crowded Cellular Environments Grassmann, Greta; Miotto, Mattia; Desantis, Fausta; Di Rienzo, Lorenzo; Tartaglia, Gian Gaetano; Pastore, Annalisa; Ruocco, Giancarlo; Monti, Michele; Milanetti, Edoardo - 01g Articolo di rassegna (Review)
paper: CHEMICAL REVIEWS (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. 3932-3977 - issn: 0009-2665 - wos: WOS:001193011000001 (23) - scopus: 2-s2.0-85189022559 (27)
11573/1702128 - 2024 -
Two Receptor Binding Strategy of SARS-CoV-2 Is Mediated by Both the N-Terminal and Receptor-Binding Spike Domain Monti, Michele; Milanetti, Edoardo; Frans, Myrthe T.; Miotto, Mattia; Di Rienzo, Lorenzo; Baranov, Maksim V.; Gosti, Giorgio; Kumar Somavarapu, Arun; Nagaraj, Madhu; Golbek, Thaddeus W.; Rossing, Emiel; Moons, Sam; Boltje, Thomas; Van Den Bogaart, Geert; Weidner, Tobias; Otzen, Daniel; Tartaglia, Gian Gaetano; Ruocco, Giancarlo; Roeters, Steven - 01a Articolo in rivista
paper: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL (American Chemical Society, Washington, D.C.) pp. - - issn: 1520-6106 - wos: WOS:001145510300001 (5) - scopus: 2-s2.0-85182580486 (5)
11573/1700809 - 2024 -
Design of protein-binding peptides with controlled binding affinity: the case of SARS-CoV-2 receptor binding domain and angiotensin-converting enzyme 2 derived peptides Parisi, G.; Piacentini, R.; Incocciati, A.; Bonamore, A.; Macone, A.; Rupert, J.; Zacco, E.; Miotto, M.; Milanetti, E.; Tartaglia, G. G.; Ruocco, G.; Boffi, A.; Di Rienzo, L. - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. - - issn: 2296-889X - wos: WOS:001144542200001 (3) - scopus: 2-s2.0-85182672420 (3)
11573/1692444 - 2023 -
Dynamical changes of SARS-CoV-2 spike variants in the highly immunogenic regions impact the viral antibodies escaping Di Rienzo, L.; Miotto, M.; Desantis, F.; Grassmann, G.; Ruocco, G.; Milanetti, E. - 01a Articolo in rivista
paper: PROTEINS (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. 1116-1129 - issn: 0887-3585 - wos: WOS:000972366400001 (3) - scopus: 2-s2.0-85153494105 (3)
11573/1684216 - 2023 -
Electrostatic complementarity at the interface drives transient protein-protein interactions Grassmann, Greta; Di Rienzo, Lorenzo; Gosti, Giorgio; Leonetti, Marco; Ruocco, Giancarlo; Miotto, Mattia; Milanetti, Edoardo - 01a Articolo in rivista
paper: SCIENTIFIC REPORTS (London: Springer Nature
London: Nature Publishing Group) pp. 1-15 - issn: 2045-2322 - wos: WOS:001018745700014 (17) - scopus: 2-s2.0-85162801292 (17)
11573/1691283 - 2023 -
Molecular dynamics analysis of superoxide dismutase 1 mutations suggests decoupling between mechanisms underlying ALS onset and progression Kalia, Munishikha; Miotto, Mattia; Ness, Deborah; Opie-Martin, Sarah; Spargo, Thomas P.; Di Rienzo, Lorenzo; Biagini, Tommaso; Petrizzelli, Francesco; Al Khleifat, Ahmad; Kabiljo, Renata; Mazza, Tommaso; Ruocco, Giancarlo; Milanetti, Edoardo; Jb Dobson, Richard; Al-Chalabi, Ammar; Iacoangeli, Alfredo - 01a Articolo in rivista
paper: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (Göteborg : Chalmers University of Technology, 2011-) pp. 5296-5308 - issn: 2001-0370 - wos: WOS:001105288200001 (7) - scopus: 2-s2.0-85175446336 (7)
11573/1679548 - 2023 -
Investigating the competition between ACE2 natural molecular interactors and SARS-CoV-2 candidate inhibitors Milanetti, E.; Miotto, M.; Bo, L.; Di Rienzo, L.; Ruocco, G. - 01a Articolo in rivista
paper: CHEMICO-BIOLOGICAL INTERACTIONS (Elsevier Science Ireland Limited:PO Box 85, Limerick Ireland:011 353 61 709600, 011 353 61 61944, EMAIL: usinfo-f@elsevier.com, INTERNET: http://www.elsevier.com, Fax: 011 353 61 709114) pp. 1-11 - issn: 0009-2797 - wos: WOS:000994542500001 (1) - scopus: 2-s2.0-85148757032 (1)
11573/1691285 - 2023 -
Differences in the organization of interface residues tunes the stability of the sars-cov-2 spike-ace2 complex Miotto, Mattia; Di Rienzo, Lorenzo; Grassmann, Greta; Desantis, Fausta; Cidonio, Gianluca; Gosti, Giorgio; Leonetti, Marco; Ruocco, Giancarlo; Milanetti, Edoardo - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. - - issn: 2296-889X - wos: WOS:001026691900001 (5) - scopus: 2-s2.0-85164685198 (4)
11573/1667884 - 2022 -
Shape Complementarity Optimization of Antibody-Antigen Interfaces: The Application to SARS-CoV-2 Spike Protein De Lauro, Alfredo; Di Rienzo, Lorenzo; Miotto, Mattia; Olimpieri, Pier Paolo; Milanetti, Edoardo; Ruocco, Giancarlo - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. 874296- - issn: 2296-889X - wos: WOS:000806548300001 (7) - scopus: 2-s2.0-85131763279 (8)
11573/1659901 - 2022 -
Spatial organization of hydrophobic and charged residues affects protein thermal stability and binding affinity Desantis, Fausta; Miotto, Mattia; Di Rienzo, Lorenzo; Milanetti, Edoardo; Ruocco, Giancarlo - 01a Articolo in rivista
paper: SCIENTIFIC REPORTS (London: Springer Nature
London: Nature Publishing Group) pp. - - issn: 2045-2322 - wos: WOS:000826110000027 (33) - scopus: 2-s2.0-85134239669 (39)
11573/1625526 - 2022 -
Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors Di Rienzo, L.; De Flaviis, L.; Ruocco, G.; Folli, V.; Milanetti, E. - 01a Articolo in rivista
paper: 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. 11-24 - issn: 0920-654X - wos: WOS:000737095800001 (10) - scopus: 2-s2.0-85122198660 (12)
11573/1659922 - 2022 -
A novel computational strategy for defining the minimal protein molecular surface representation Grassmann, Greta; Miotto, Mattia; Di Rienzo, Lorenzo; Gosti, Giorgio; Ruocco, Giancarlo; Milanetti, Edoardo - 01a Articolo in rivista
paper: PLOS ONE (San Francisco, CA : Public Library of Science) pp. - - issn: 1932-6203 - wos: WOS:000795453600033 (5) - scopus: 2-s2.0-85128282292 (5)
11573/1625530 - 2022 -
Inferring the stabilization effects of SARS-CoV-2 variants on the binding with ACE2 receptor Miotto, M.; Di Rienzo, L.; Gosti, G.; Bo', L.; Parisi, G.; Piacentini, R.; Boffi, A.; Ruocco, G.; Milanetti, E. - 01a Articolo in rivista
paper: COMMUNICATIONS BIOLOGY ([London]: Springer Nature) pp. 20221- - issn: 2399-3642 - wos: WOS:000739971300001 (23) - scopus: 2-s2.0-85122460600 (25)
11573/1625555 - 2022 -
Thermometer: a webserver to predict protein thermal stability Miotto, Mattia; Armaos, Alexandros; Di Rienzo, Lorenzo; Ruocco, Giancarlo; Milanetti, Edoardo; Tartaglia, Gian Gaetano - 01a Articolo in rivista
paper: BIOINFORMATICS (-Oxford : Oxford University Press, 1998-) pp. - - issn: 1367-4803 - wos: WOS:000774215400044 (15) - scopus: 2-s2.0-85128390790 (16)
11573/1646264 - 2022 -
Lactoferrin inhibition of the complex formation between ACE2 receptor and SARS CoV-2 recognition binding domain Piacentini, R.; Centi, L.; Miotto, M.; Milanetti, E.; Di Rienzo, L.; Pitea, M.; Piazza, P.; Ruocco, G.; Boffi, A.; Parisi, G. - 01a Articolo in rivista
paper: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (Basel (Matthaeustrasse 11) : Molecular Diversity Preservation International MDPI) pp. 5436- - issn: 1661-6596 - wos: WOS:000801799200001 (19) - scopus: 2-s2.0-85129810681 (19)
11573/1482253 - 2021 -
Exploring the Association Between Sialic Acid and SARS-CoV-2 Spike Protein Through a Molecular Dynamics-Based Approach Bò, Leonardo; Miotto, Mattia; Di Rienzo, Lorenzo; Milanetti, Edoardo; Ruocco, Giancarlo - 01a Articolo in rivista
paper: FRONTIERS IN MEDICAL TECHNOLOGY (Lausanne: Frontiers Media S.A.) pp. - - issn: 2673-3129 - wos: WOS:001007812300001 (28) - scopus: 2-s2.0-85162956195 (27)
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
paper: 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 (20) - scopus: 2-s2.0-85106265291 (22)
11573/1625547 - 2021 -
Quantitative description of surface complementarity of antibody-antigen interfaces Di Rienzo, L.; Milanetti, E.; Ruocco, G.; Lepore, R. - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. - - issn: 2296-889X - wos: WOS:000708357200001 (6) - scopus: 2-s2.0-85117074383 (7)
11573/1625551 - 2021 -
Characterizing hydropathy of amino acid side chain in a protein environment by investigating the structural changes of water molecules network Di Rienzo, L.; Miotto, M.; Bo, L.; Ruocco, G.; Raimondo, D.; Milanetti, E. - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. 626837- - issn: 2296-889X - wos: WOS:000627894300001 (36) - scopus: 2-s2.0-85102560332 (40)
11573/1625549 - 2021 -
Computational optimization of angiotensin-converting enzyme 2 for SARS-CoV-2 Spike molecular recognition Di Rienzo, L.; Monti, M.; Milanetti, E.; Miotto, M.; Boffi, A.; Tartaglia, G. G.; Ruocco, G. - 01a Articolo in rivista
paper: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (Göteborg : Chalmers University of Technology, 2011-) pp. 3006-3014 - issn: 2001-0370 - wos: WOS:000684817100001 (16) - scopus: 2-s2.0-85107061996 (15)
11573/1601513 - 2021 -
A computational approach to investigate tdp-43 rna-recognition motif 2 c-terminal fragments aggregation in amyotrophic lateral sclerosis Grassmann, G.; Miotto, M.; Di Rienzo, L.; Salaris, F.; Silvestri, B.; Zacco, E.; Rosa, A.; Tartaglia, G. G.; Ruocco, G.; Milanetti, E. - 01a Articolo in rivista
paper: BIOMOLECULES (Basel: MDPI) pp. 1905- - issn: 2218-273X - wos: WOS:000736331100001 (9) - scopus: 2-s2.0-85121301369 (9)
11573/1482255 - 2021 -
2D Zernike polynomial expansion: finding the protein-protein binding regions Milanetti, E.; Miotto, M.; Di Rienzo, L.; Monti, M.; Gosti, G.; Ruocco, G. - 01a Articolo in rivista
paper: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (Göteborg : Chalmers University of Technology, 2011-) pp. 29-36 - issn: 2001-0370 - wos: WOS:000692605200003 (33) - scopus: 2-s2.0-85098451378 (34)
11573/1625559 - 2021 -
In-Silico Evidence for a Two Receptor Based Strategy of SARS-CoV-2 Milanetti, E.; Miotto, M.; Di Rienzo, L.; Nagaraj, M.; Monti, M.; Golbek, T. W.; Gosti, G.; Roeters, S. J.; Weidner, T.; Otzen, D. E.; Ruocco, G. - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. 690655- - issn: 2296-889X - wos: WOS:000664503400001 (45) - scopus: 2-s2.0-85108433628 (85)
11573/1625539 - 2021 -
Molecular mechanisms behind anti SARS-CoV-2 action of Lactoferrin Miotto, M.; Di Rienzo, L.; Bo, L.; Boffi, A.; Ruocco, G.; Milanetti, E. - 01a Articolo in rivista
paper: FRONTIERS IN MOLECULAR BIOSCIENCES (Lausanne : Frontiers Media S.A., 2014-) pp. 607443- - issn: 2296-889X - wos: WOS:000623215100001 (46) - scopus: 2-s2.0-85101944809 (47)
11573/1625532 - 2021 -
Does blood type affect the COVID-19 infection pattern? Miotto, M.; Di Rienzo, L.; Gosti, G.; Milanetti, E.; Ruocco, G. - 01a Articolo in rivista
paper: PLOS ONE (San Francisco, CA : Public Library of Science) pp. - - issn: 1932-6203 - wos: WOS:000664628200091 (21) - scopus: 2-s2.0-85105798326 (24)
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
paper: BIOMEDICINES (Basel: MDPI) pp. - - issn: 2227-9059 - wos: WOS:000609863700001 (10) - scopus: 2-s2.0-85099538295 (9)
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
paper: CELLS (Basel: mdpi-Molecular Diversity Preservation International) pp. 1-15 - issn: 2073-4409 - wos: WOS:000535559500153 (18) - scopus: 2-s2.0-85083406393 (19)
11573/1540463 - 2020 -
A novel strategy for molecular interfaces optimization: the case of ferritin-transferrin receptor interaction Di Rienzo, L.; Milanetti, E.; Testi, C.; Montemiglio, L. C.; Baiocco, P.; Boffi, A.; Ruocco, G. - 01a Articolo in rivista
paper: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (Göteborg : Chalmers University of Technology, 2011-) pp. 2678-2686 - issn: 2001-0370 - wos: WOS:000607304000003 (9) - scopus: 2-s2.0-85092168609 (9)
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
paper: 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)
11573/1363467 - 2020 -
Simulated epidemics in 3D protein structures to detect functional properties Miotto, Mattia; Di Rienzo, Lorenzo; Corsi, Pietro; Ruocco, Giancarlo; Raimondo, Domenico; Milanetti, Edoardo - 01a Articolo in rivista
paper: JOURNAL OF CHEMICAL INFORMATION AND MODELING (AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036) pp. 1884-1891 - issn: 1549-9596 - wos: WOS:000526390800072 (14) - scopus: 2-s2.0-85082147174 (14)
11573/1223470 - 2019 -
Insights on protein thermal stability: a graph representation of molecular interactions Miotto, Mattia; Olimpieri, Pier Paolo; Di Rienzo, Lorenzo; Ambrosetti, Francesco; Corsi, Pietro; Lepore, Rosalba; Tartaglia, Gian Gaetano; Milanetti, Edoardo - 01a Articolo in rivista
paper: BIOINFORMATICS (-Oxford : Oxford University Press, 1998-) pp. 1-9 - issn: 1367-4803 - wos: (0) - scopus: 2-s2.0-85070667505 (79)
11573/1019534 - 2017 -
Superposition-free comparison and clustering of antibody binding sites: implications for the prediction of the nature of their antigen Di Rienzo, Lorenzo; Milanetti, Edoardo; Lepore, Rosalba; Olimpieri, Pier Paolo; Tramontano, Anna - 01a Articolo in rivista
paper: SCIENTIFIC REPORTS (London: Springer Nature
London: Nature Publishing Group) pp. 45053- - issn: 2045-2322 - wos: WOS:000397307500001 (23) - scopus: 2-s2.0-85016157562 (23)