William L. Jorgensen
William L. Jorgensen
Sterling Professor of Chemistry, Yale University
Email verificata su yale.edu - Home page
Titolo
Citata da
Citata da
Anno
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
301661983
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
109271996
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
44721988
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
33922001
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
23282000
Optimized intermolecular potential functions for liquid hydrocarbons
WL Jorgensen, JD Madura, CJ Swenson
Journal of the American Chemical Society 106 (22), 6638-6646, 1984
22411984
The many roles of computation in drug discovery
WL Jorgensen
Science 303 (5665), 1813-1818, 2004
14962004
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
13411990
Encyclopedia of computational chemistry
P von Ragu Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
1327*1998
Optimized intermolecular potential functions for liquid alcohols
WL Jorgensen
The Journal of Physical Chemistry 90 (7), 1276-1284, 1986
12871986
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
12172016
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
11711981
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
11551981
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
11551981
Temperature and size dependence for Monte Carlo simulations of TIP4P water
WL Jorgensen, JD Madura
Molecular Physics 56 (6), 1381-1392, 1985
8991985
The organic chemist's book of orbitals
W Jorgensen
Elsevier, 2012
8962012
Monte Carlo simulation of differences in free energies of hydration
WL Jorgensen, C Ravimohan
The Journal of chemical physics 83 (6), 3050-3054, 1985
8041985
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
7602005
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
7191991
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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