| A new force field for molecular mechanical simulation of nucleic acids and proteins S Weiner, P Kollman, D Case, U Chandra Singh, C Ghio, G Alagona, ... J. Am. Chem. Soc. 106 (3), 765-784, 1984 | 6440 | 1984 |
| SOOllT& Weiner, P.(1984) J SJ Weiner, PA Kollman, DA Case, UC Singh, C Ghio, G Alagona, ... Am. Chem. Soc 106, 765-784, 0 | 236 | |
| QUANTUM‐MECHANICAL STUDIES OF ENVIRONMENTAL EFFECTS ON BIOMOLECULES I. HYDRATION OF FORMAMIDE G Alagona, A Pullman, E Scrocco, J Tomasi International Journal of Peptide and Protein Research 5 (4), 251-259, 1973 | 130 | 1973 |
| Theoretical calculations on 1, 2-ethanediol. Gauche-trans equilibrium in gas-phase and aqueous solution PI Nagy, WJ Dunn III, G Alagona, C Ghio Journal of the American Chemical Society 113 (18), 6719-6729, 1991 | 123 | 1991 |
| Quantum mechanical studies of environmental effects on biomolecules. An ab initio study of the hydration of dimethylphosphate A Pullman, H Berthod, N Gresh Chemical Physics Letters 33 (1), 11-14, 1975 | 116* | 1975 |
| Quantum mechanical and molecular mechanical studies on a model for the dihydroxyacetone phosphate-glyceraldehyde phosphate isomerization catalyzed by triose phosphate isomerase … G Alagona, P Desmeules, C Ghio, PA Kollman Journal of the American Chemical Society 106 (12), 3623-3632, 1984 | 108 | 1984 |
| Structure of a dilute aqueous solution of argon. A Monte Carlo simulation G Alagona, A Tani The Journal of Chemical Physics 72 (1), 580-588, 1980 | 104 | 1980 |
| do enzymes stabilize transition states by electrostatic interactions or pKa balance: the case of triose phosphate isomerase (TIM)? G Alagona, C Ghio, PA Kollman Journal of the American Chemical Society 117 (39), 9855-9862, 1995 | 87 | 1995 |
| Monte Carlo simulation studies of the solvation of ions. 1. Acetate anion and methylammonium cation G Alagona, C Ghio, P Kollman Journal of the American Chemical Society 108 (2), 185-191, 1986 | 86 | 1986 |
| Ab initio study of the amidic bond cleavage by hydroxide (1-) ion in formamide G Alagona, E Scrocco, J Tomasi Journal of the American Chemical Society 97 (24), 6976-6983, 1975 | 85 | 1975 |
| Theoretical calculations on 1, 2-ethanediol. 2. Equilibrium of the gauche conformers with and without an intramolecular hydrogen bond in aqueous solution PI Nagy, WJ Dunn III, G Alagona, C Ghio Journal of the American Chemical Society 114 (12), 4752-4758, 1992 | 81 | 1992 |
| Ab initio studies of free and monohydrated carboxylic acids in the gas phase PI Nagy, DA Smith, G Alagona, C Ghio The Journal of Physical Chemistry 98 (2), 486-493, 1994 | 75 | 1994 |
| Theoretical studies on the conformation of protonated dopamine in the gas phase and in aqueous solution PI Nagy, G Alagona, C Ghio Journal of the American Chemical Society 121 (20), 4804-4815, 1999 | 74 | 1999 |
| An appraisal of solvation effects on chemical functional groups: The amidic and the esteric linkages G Alagona, C Ghio, J Igual, J Tomasi Journal of Molecular Structure: THEOCHEM 204, 253-283, 1990 | 73 | 1990 |
| Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. Norepinephrine PI Nagy, G Alagona, C Ghio, K Takács-Novák Journal of the American Chemical Society 125 (9), 2770-2785, 2003 | 71 | 2003 |
| Theoretical studies of the 2-and 4-hydroxybenzoic acid with competing hydrogen bonds in the gas phase and aqueous solution PI Nagy, WJ Dunn III, G Alagona, C Ghio The Journal of Physical Chemistry 97 (18), 4628-4642, 1993 | 70 | 1993 |
| Olefin insertion into the Rhodium− Hydrogen bond as the step determining the regioselectivity of Rhodium-Catalyzed hydroformylation of vinyl substrates: Comparison between … G Alagona, C Ghio, R Lazzaroni, R Settambolo Organometallics 20 (25), 5394-5404, 2001 | 69 | 2001 |
| Monte Carlo simulation studies of the solvation of ions. 2. Glycine zwitterion G Alagona, C Ghio, PA Kollman Journal of Molecular Structure: THEOCHEM 166, 385-392, 1988 | 69 | 1988 |
| Bifurcated vs. linear hydrogen bonds: dimethyl phosphate and formate anion interactions with water G Alagona, C Ghio, P Kollman Journal of the American Chemical Society 105 (16), 5226-5230, 1983 | 67 | 1983 |
| The catalytic effect of water on the keto–enol tautomerism. Pyruvate and acetylacetone: a computational challenge G Alagona, C Ghio, PI Nagy Physical Chemistry Chemical Physics 12 (35), 10173-10188, 2010 | 66 | 2010 |
