William L. Jorgensen
William L. Jorgensen
Sterling Professor of Chemistry, Yale University
Verified email at yale.edu - Homepage
Title
Cited by
Cited by
Year
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
297151983
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
WL Jorgensen, DS Maxwell, J Tirado-Rives
Journal of the American Chemical Society 118 (45), 11225-11236, 1996
107651996
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
WL Jorgensen, J Tirado-Rives
Journal of the American Chemical Society 110 (6), 1657-1666, 1988
44341988
Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
GA Kaminski, RA Friesner, J Tirado-Rives, WL Jorgensen
The Journal of Physical Chemistry B 105 (28), 6474-6487, 2001
33492001
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
MW Mahoney, WL Jorgensen
The Journal of Chemical Physics 112 (20), 8910-8922, 2000
23102000
Optimized intermolecular potential functions for liquid hydrocarbons
WL Jorgensen, JD Madura, CJ Swenson
Journal of the American Chemical Society 106 (22), 6638-6646, 1984
22241984
The many roles of computation in drug discovery
WL Jorgensen
Science 303 (5665), 1813-1818, 2004
14792004
Aromatic-aromatic interactions: free energy profiles for the benzene dimer in water, chloroform, and liquid benzene
WL Jorgensen, DL Severance
Journal of the American Chemical Society 112 (12), 4768-4774, 1990
13321990
Optimized intermolecular potential functions for liquid alcohols
WL Jorgensen
The Journal of Physical Chemistry 90 (7), 1276-1284, 1986
12811986
Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water
WL Jorgensen
Journal of the American Chemical Society 103 (2), 335-340, 1981
11621981
OPLS3: a force field providing broad coverage of drug-like small molecules and proteins
E Harder, W Damm, J Maple, C Wu, M Reboul, JY Xiang, L Wang, ...
Journal of chemical theory and computation 12 (1), 281-296, 2016
11462016
Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water
WL Jorgensen
Journal of the American Chemical Society 103 (2), 335-340, 1981
11461981
Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water
WL Jorgensen
Journal of the American Chemical Society 103 (2), 335-340, 1981
11461981
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
9651998
The organic chemist's book of orbitals
W Jorgensen
Elsevier, 2012
8932012
Temperature and size dependence for Monte Carlo simulations of TIP4P water
WL Jorgensen, JD Madura
Molecular Physics 56 (6), 1381-1392, 1985
8911985
Monte Carlo simulation of differences in free energies of hydration
WL Jorgensen, C Ravimohan
The Journal of chemical physics 83 (6), 3050-3054, 1985
8011985
Free energy calculations: a breakthrough for modeling organic chemistry in solution
WL Jorgensen
Accounts of Chemical Research 22 (5), 184-189, 1989
7761989
Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
WL Jorgensen, J Tirado-Rives
Proceedings of the National Academy of Sciences 102 (19), 6665-6670, 2005
7422005
OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform
J Pranata, SG Wierschke, WL Jorgensen
Journal of the American Chemical Society 113 (8), 2810-2819, 1991
7131991
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Articles 1–20