Sfoglia per Chimica e Geologia
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations
2008 Brancato, Giuseppe; N., Rega; Barone, Vincenzo
A mean field approach for molecular simulations of fluid systems
2005 Brancato, Giuseppe; Di Nola, A; Barone, Vincenzo; Amadei, A.
A Mean Field Approach for Molecular Simulations of Liquids and Solutions
2005 Brancato, Giuseppe; A., Di Nola; Barone, Vincenzo; A., Amadei
A melanin-inspired pro-oxidant system for dopa(mine) polymerization: mimicking the natural casing process
2011 Greco, Giorgia; Panzella, Lucia; Gentile, G.; Errico, M. E.; Carfagna, Cosimo; Napolitano, Alessandra; D'Ischia, Marco
A MICROSCOPIC APPROACH TO THE STRUCTURE AND THERMODYNAMIC PROPERTIES OF PEPTIDES AND PROTEINS
1990 Amodeo, P; Barone, Vincenzo; Fraternali, F.
A MOLECULAR-DYNAMICS STUDY OF ASSOCIATIONS IN SOLUTION - AN NPT SIMULATION OF THE UREA DIMER IN WATER
1987 Cristinziano, P; Lelj, F; Amodeo, P; Barone, Vincenzo
A new benzothiazole derivative by degradation of pheomelanins with alkaline hydrogen peroxide
1996 Napolitano, A.; Vincensi, M. R.; Dischia, M.; G. PROTA.,
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
1997 Barone, Vincenzo; Cossi, M; Tomasi, J.
A new dopachrome-rearranging enzyme from the ejected ink of the cuttlefish Sepia officinalis
1994 Palumbo, A.; D'Ischia, M.; Misuraca, G.; DE MARTINO, L.; Prota., G.
A NEW GENERAL-FORM OF MOLECULAR-FORCE FIELDS - APPLICATION TO INTRARESIDUE AND INTERRESIDUE INTERACTIONS IN PEPTIDES
1992 Amodeo, P; Barone, Vincenzo
A new insight into the origin of eumelanin chromophore
2017 Panzella, Lucia; Micillo, Raffaella; Iacomino, Mariagrazia; Crescenzi, Orlando; Koike, Kenzo; Napolitano, Alessandra; D’Ischia, Marco
A new look at the oxidative chemistry of 5,6-dihydroxyindoles, the key precursors of natural melanin pigments
1999 Manini, P.; Dischia, M; Prota, G
A new oxidation pathway of the neurotoxin 6-aminodopamine. Isolation and characterisation of a dimer with a tetrahydro(3, 4a)iminoethanophenoxazine ring system
1992 Napolitano, A.; D'Ischia, M.; Costantini, C.; Prota., G.
A NON-EMPIRICAL AND HAM/3 STUDY OF THE GEOMETRY, CONFORMATIONAL BEHAVIOR AND ELECTRONIC-STRUCTURE OF ISOMERIC VINYLPYRIDINES
1984 Barone, Vincenzo; Bianchi, N; Lelj, F; Abbate, G; Russo, N.
A novel fluoride-sensing scaffold by a peculiar acid-promoted trimerization of 5,6-dihydroxyindole
2009 Panzella, Lucia; Pezzella, Alessandro; Arzillo, M.; Manini, Paola; Napolitano, Alessandra; D'Ischia, Marco
A novel hydrogen peroxide-dependent oxidation pathway of dopamine via 6-hydroxydopamine
2003 Manini, Paola; Panzella, Lucia; Napolitano, Alessandra; D'Ischia, Marco
A Novel Octahydropyridobenzothiazepine Metabolite in Human Urine: Biomimetic Formation from the Melanogen 5-S-Cysteinyldopa and Formaldehyde via a Peculiar Sulfur-Controlled Double Pictet-Spengler Condensation
2000 Manini, Paola; D'Ischia, Marco; Prota, Giuseppe
A parameter-free quantum mechanical approach to the calculation of electron transfer rates for large systems in solution
2006 R., Improta; Barone, Vincenzo; M. D., Newton
A Photoresponsive Red-Hair-Inspired Polydopamine-Based Copolymer for Hybrid Photocapacitive Sensors
2014 Ambrico, M; Della Vecchia, Nf; Ambrico, Pf; Cardone, A; Cicco, Sr; Ligonzo, T; Avolio, R; Napolitano, Alessandra; D'Ischia, Marco
A plane wave implementation of the polarizable continuum model
2000 DE ANGELIS, F.; Sgamellotti, A.; Cossi, M.; Rega, N.; Barone, Vincenzo
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