| A second generation force field for the simulation of proteins, nucleic acids, and organic molecules WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz, DM Ferguson, ... Journal of the American Chemical Society 117 (19), 5179-5197, 1995 | 15442 | 1995 |
| Lipid14: the amber lipid force field CJ Dickson, BD Madej, ÅA Skjevik, RM Betz, K Teigen, IR Gould, ... Journal of chemical theory and computation 10 (2), 865-879, 2014 | 1213 | 2014 |
| A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197 WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz, DM Ferguson, ... Journal of the American Chemical Society 118 (9), 2309-2309, 1996 | 643 | 1996 |
| GAFFlipid: a General Amber Force Field for the accurate molecular dynamics simulation of phospholipid CJ Dickson, L Rosso, RM Betz, RC Walker, IR Gould Soft Matter 8 (37), 9617-9627, 2012 | 257 | 2012 |
| Theoretical investigation of the hydrogen bond strengths in guanine-cytosine and adenine-thymine base pairs IR Gould, PA Kollman Journal of the American Chemical Society 116 (6), 2493-2499, 1994 | 241 | 1994 |
| The structure of imidazolium-based ionic liquids: Insights from ion-pair interactions PA Hunt, IR Gould, B Kirchner Australian journal of chemistry 60 (1), 9-14, 2007 | 228 | 2007 |
| Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using ab initio methods PA Hunt, IR Gould The Journal of Physical Chemistry A 110 (6), 2269-2282, 2006 | 227 | 2006 |
| J.; Ferguson, DM; Spellmeyer, DC; Fox, T.; Caldwell, JW; Kollman WD Cornell, P Cieplak, CI Bayly, IR Gould, K Merz J. Am. Chem. Soc 117, 5179-5197, 1995 | 223* | 1995 |
| Ab Initio Molecular Orbital Calculations of Electronic Couplings in the LH2 Bacterial Light-Harvesting Complex of Rps. Acidophila GD Scholes, IR Gould, RJ Cogdell, GR Fleming The Journal of Physical Chemistry B 103 (13), 2543-2553, 1999 | 217 | 1999 |
| A quantum mechanical investigation of the conformational energetics of the alanine and glycine dipeptides in the gas phase and in aqueous solution IR Gould, WD Cornell, IH Hillier Journal of the American Chemical Society 116 (20), 9250-9256, 1994 | 187 | 1994 |
| Assessment of standard force field models against high‐quality ab initio potential curves for prototypes of π–π, CH/π, and SH/π interactions CD Sherrill, BG Sumpter, MO Sinnokrot, MS Marshall, EG Hohenstein, ... Journal of computational chemistry 30 (14), 2187-2193, 2009 | 140 | 2009 |
| Imaging phase separation in model lipid membranes through the use of BODIPY based molecular rotors MR Dent, I López-Duarte, CJ Dickson, ND Geoghegan, JM Cooper, ... Physical Chemistry Chemical Physics 17 (28), 18393-18402, 2015 | 110 | 2015 |
| Ab initio SCF and MP2 calculations on four low-energy conformers of N-acetyl-N'-methylalaninamide IR Gould, PA Kollman The Journal of Physical Chemistry 96 (23), 9255-9258, 1992 | 109 | 1992 |
| Large and fast relaxations inside a protein: Calculation and measurement of reorganization energies in alcohol dehydrogenase RC Walker, MM de Souza, IP Mercer, IR Gould, DR Klug The Journal of Physical Chemistry B 106 (44), 11658-11665, 2002 | 108 | 2002 |
| Effect of molecular dimension on the rate of return electron transfer within photoproduced geminate radical ion pairs IR Gould, JE Moser, D Ege, S Farid Journal of the American Chemical Society 110 (6), 1991-1993, 1988 | 107 | 1988 |
| Lipid21: complex lipid membrane simulations with AMBER CJ Dickson, RC Walker, IR Gould Journal of chemical theory and computation 18 (3), 1726-1736, 2022 | 103 | 2022 |
| Tautomerism in uracil, cytosine and guanine: a comparison of electron correlation predicted by ab initio and density functional theory methods IR Gould, NA Burton, RJ Hall, IH Hillier Journal of Molecular Structure: THEOCHEM 331 (1-2), 147-154, 1995 | 102 | 1995 |
| Structure and dynamics of phospholipid bilayers using recently developed general all‐atom force fields L Rosso, IR Gould Journal of computational chemistry 29 (1), 24-37, 2008 | 96 | 2008 |
| Glyoxylate as a backbone linkage for a prebiotic ancestor of RNA HD Bean, FAL Anet, IR Gould, NV Hud Origins of Life and Evolution of Biospheres 36, 39-63, 2006 | 91 | 2006 |
| Comparing experimental and computational alanine scanning techniques for probing a prototypical protein–protein interaction RT Bradshaw, BH Patel, EW Tate, RJ Leatherbarrow, IR Gould Protein Engineering, Design & Selection 24 (1-2), 197-207, 2011 | 85 | 2011 |
