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: (0) - scopus: 2-s2.0-85186699403 (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 (1) - 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 (1) - scopus: 2-s2.0-85158845434 (1)
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 (1) - scopus: 2-s2.0-85152012814 (2)
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 (3) - 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 (7) - scopus: 2-s2.0-85124216255 (8)
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 (7) - 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 (2) - scopus: 2-s2.0-85143659533 (3)
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 (4) - scopus: 2-s2.0-85142202691 (6)
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 (2) - scopus: 2-s2.0-85141742847 (2)
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 (4) - scopus: 2-s2.0-85122022030 (4)