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GHIO, CATERINA ENRICA

GHIO, CATERINA ENRICA  

Istituto per i Processi Chimico-Fisici - IPCF  

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Risultati 1 - 20 di 99 (tempo di esecuzione: 0.028 secondi).
Titolo Data di pubblicazione Autore(i) File
5-Fluorouracil Dimers in Aqueous Solution: Molecular Dynamics in Water and Continuum Solvation 1-gen-2002 Alagona G.; Ghio C.; Monti S.
A Combined ab initio and Free Energy Approach for Studying Enzyme Catalyzed Reaction Mechanisms 1-gen-2003 Alagona, G; Campanile, S; Ghio, C; Kollman, Pa
A Combined Circular Dichroism-Molecular Mechanics Approach to Define the Molecular Conformation of Cholic Acid Derivatives 1-gen-2003 Alagona, G; Ghio, C; Iuliano, A; Monti, S
A test case for time-dependent density functional theory calculations of electronic circular dichroism: 2-chloro-4-methoxy-6- [(R)-1-phenylethylamino]-1,3,5- triazine 1-gen-2007 Alagona G.; Ghio C.; Monti S.
Ab Initio Evaluation of the Strength of Hydrogen Bonding and Stacking Interactions 1-gen-2003 Alagona, G; Ghio, C
Ab Initio Investigation of the Methylimidazole-Indole Complexes, as Models of the Histidine-Tryptophan Pair 1-gen-1998 Alagona, G; Ghio, C; Monti, S
Ab Initio Modelling of Competitive Drug-Drug Interactions: 5-Fluorouracil Dimers in the Gas Phase and in Solution. 1-gen-2001 Alagona, G; Ghio, C; Monti, S
Ab Initio Study of Preferential Interactions Between Aromatic Side Chains 1-gen-1999 Alagona, G; Ghio, C; Monti, S
Ab Initio Theoretical Methods for Studying Intermolecular Forces 1-gen-2003 Alagona, G; Ghio, C
Alkyl-Rhodium Transition State Stabilities as a Tool to Predict Regio- and Stereoselectivity in the Hydroformylation of Chiral Substrates 1-gen-2005 Alagona, G; Ghio, C
An FEP/QM Approach to the Second Proton Transfer in Triose-Phosphate Isomerase 1-gen-2002 Alagona, G; Ghio, C; Kollman, Pa
Analysis of the Interaction Energy for Various Oxazaborolidine-Ketone Adducts and Related Systems 1-gen-2003 Alagona, G; Ghio, C; Tomasi, S
Antioxidant properties of natural compounds through their copper(II) chelating ability in vacuo and in aqueous solution (PCM) 1-gen-2009 Alagona G.; Ghio C.
Antioxidant properties of natural compounds through their copper(II) coordination ability 1-gen-2010 Alagona, G; Ghio, C
Antioxidant properties of pterocarpans through their copper(II) coordination ability. A DFT study in vacuo and in aqueous solution (PCM) 1-gen-2009 Alagona, G; Ghio, C
B3LYP/6-31G* conformational landscape in vacuo of some pterocarpan stereoisomers with biological activity 1-gen-2004 Alagona G.; Ghio C.; Monti S.
B3LYP/6-31G* Conformational Preferences in Vacuo of Natural Isoflavonoid Pterocarpans with Antitumoral Activity 1-gen-2003 Alagona G.; Ghio C.; Monti S.
B3LYP/6-31G* vs MMFF94 Conformational Landscapes of all the Possible Stereoisomers of a few Pterocarpans with Biological Activity 1-gen-2003 Alagona G.; Ghio C.; Monti S.
BSSE Study of the Oxazaborolidine-Ketone Interaction in a Model System 1-gen-2002 Alagona Giuliano; Ghio Caterina; Tomasi Simone
Caco-2 cell permeability modelling: a neural network coupled genetic algorithm approach 1-gen-2007 Di Fenza, A; Alagona, G; Ghio, C; Leonardi, R; Giolitti, A; Madami, A