| Comparison of simple potential functions for simulating liquid water WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein The Journal of chemical physics 79 (2), 926-935, 1983 | 40832 | 1983 |
| Optimized intermolecular potential functions for liquid hydrocarbons WL Jorgensen, JD Madura, CJ Swenson Journal of the American Chemical Society 106 (22), 6638-6646, 1984 | 2640 | 1984 |
| Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew HW Horn, WC Swope, JW Pitera, JD Madura, TJ Dick, GL Hura, ... The Journal of chemical physics 120 (20), 9665-9678, 2004 | 2179 | 2004 |
| General chemistry R Petrucci Principles and Modern Applications, 1985 | 1397 | 1985 |
| Temperature and size dependence for Monte Carlo simulations of TIP4P water WL Jorgensen, JD Madura Molecular Physics 56 (6), 1381-1392, 1985 | 1049 | 1985 |
| Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program JD Madura, JM Briggs, RC Wade, ME Davis, BA Luty, A Ilin, J Antosiewicz, ... Computer Physics Communications 91 (1-3), 57-95, 1995 | 769 | 1995 |
| Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program ME Davis, JD Madura, BA Luty, JA McCammon Computer Physics Communications 62 (2-3), 187-197, 1991 | 598 | 1991 |
| Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water WL Jorgensen, JD Madura Journal of the American Chemical Society 105 (6), 1407-1413, 1983 | 473 | 1983 |
| Química general RH Petrucci, WS Harwood, FG Herring, SS Perry, CP García-Pumarino, ... Fondo Educativo Interamericano, 1977 | 414 | 1977 |
| Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution JD Madura, WL Jorgensen Journal of the American Chemical Society 108 (10), 2517-2527, 1986 | 282 | 1986 |
| Family 18 chitinase–oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A NN Aronson Jr, BA Halloran, MF Alexyev, L Amable, JD Madura, ... Biochemical Journal 376 (1), 87-95, 2003 | 193* | 2003 |
| Biological applications of electrostatic calculations and Brownian dynamics simulations JD Madura, ME Davist, MK Gilson, RC Wades, BA Luty, JA McCammon Reviews in computational chemistry, 229-267, 1994 | 185 | 1994 |
| Atomic force microscopy and molecular modeling of protein and peptide binding to calcite A Wierzbicki, CS Sikes, JD Madura, B Drake Calcified tissue international 54 (2), 133-141, 1994 | 158 | 1994 |
| Methods for applying the quantitative structure-activity relationship paradigm EX Esposito, AJ Hopfinger, JD Madura Chemoinformatics: Concepts, methods, and tools for drug discovery, 131-213, 2004 | 157 | 2004 |
| Network topology in simulated water RJ Speedy, JD Madura, WL Jorgensen Journal of Physical Chemistry 91 (4), 909-913, 1987 | 154 | 1987 |
| Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states KN Houk, NG Rondan, FK Brown, WL Jorgensen, JD Madura, ... Journal of the American Chemical Society 105 (19), 5980-5988, 1983 | 145 | 1983 |
| A Brownian dynamics study of the initial stages of hen egg-white lysozyme adsorption at a solid interface S Ravichandran, JD Madura, J Talbot The Journal of Physical Chemistry B 105 (17), 3610-3613, 2001 | 143 | 2001 |
| Molecular recognition and binding of thermal hysteresis proteins to ice JD Madura, K Baran, A Wierzbicki Journal of Molecular Recognition 13 (2), 101-113, 2000 | 128 | 2000 |
| Biennial review mass spectrometry AL Burlingame, A Dell, DH Russell Anal. Chem. 54, 363R-409R, 1982 | 127* | 1982 |
| Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme RC Wade, ME Davis, BA Luty, JD Madura, JA McCammon Biophysical journal 64 (1), 9-15, 1993 | 121 | 1993 |
