2006 |
19 | EE | William L. Jorgensen:
QSAR/QSPR and Proprietary Data.
Journal of Chemical Information and Modeling 46(3): 937 (2006) |
2005 |
18 | EE | William L. Jorgensen:
Journal of Chemical Information and Modeling.
Journal of Chemical Information and Modeling 45(1): 1 (2005) |
17 | EE | William L. Jorgensen,
Julian Tirado-Rives:
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.
Journal of Computational Chemistry 26(16): 1689-1700 (2005) |
2004 |
16 | EE | Ivan Tubert-Brohman,
Cristiano Ruch Werneck Guimarães,
Matthew P. Repasky,
William L. Jorgensen:
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens.
Journal of Computational Chemistry 25(1): 138-150 (2004) |
15 | EE | Marina Udier-Blagovi,
Patricia Morales De Tirado,
Shoshannah A. Pearlman,
William L. Jorgensen:
Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
Journal of Computational Chemistry 25(11): 1322-1332 (2004) |
2002 |
14 | EE | Matthew P. Repasky,
Jayaraman Chandrasekhar,
William L. Jorgensen:
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods.
Journal of Computational Chemistry 23(16): 1601-1622 (2002) |
13 | EE | Matthew P. Repasky,
Jayaraman Chandrasekhar,
William L. Jorgensen:
Improved semiempirical heats of formation through the use of bond and group equivalents.
Journal of Computational Chemistry 23(4): 498-510 (2002) |
2001 |
12 | EE | Melissa L. P. Price,
Dennis Ostrovsky,
William L. Jorgensen:
Gas-phase and liquid-state properties of esters, nitriles, and nitro compounds with the OPLS-AA force field.
Journal of Computational Chemistry 22(13): 1340-1352 (2001) |
11 | EE | Jayaraman Chandrasekhar,
Martin Saunders,
William L. Jorgensen:
Efficient exploration of conformational space using the stochastic search method: application to -peptide oligomers.
Journal of Computational Chemistry 22(14): 1646-1654 (2001) |
10 | EE | Daniel J. Price,
William L. Jorgensen:
Improved convergence of binding affinities with free energy perturbation: Application to nonpeptide ligands with pp60src SH2 domain.
Journal of Computer-Aided Molecular Design 15(8): 681-695 (2001) |
1998 |
9 | EE | William L. Jorgensen,
Corky Jenson:
Temperature dependence of TIP3P, SPC, and TIP4P water from NPT Monte Carlo simulations: Seeking temperatures of maximum density.
Journal of Computational Chemistry 19(10): 1179-1186 (1998) |
1996 |
8 | EE | Julian Tirado-Rives,
William L. Jorgensen:
Viability of molecular modeling with pentium-based PCs.
Journal of Computational Chemistry 17(11): 1385-1386 (1996) |
1995 |
7 | | Daniel L. Severance,
Jonathan W. Essex,
William L. Jorgensen:
Generalized Alteration of Structure and Parameters: A New Method for Free- Energy Perturbations in Systems Containing Flexible Degrees of Freedom.
Journal of Computational Chemistry 16(3): 311-327 (1995) |
6 | | Jonathan W. Essex,
William L. Jorgensen:
An Empirical Boundary Potential for Water Droplet Simulations.
Journal of Computational Chemistry 16(8): 951-972 (1995) |
5 | | David S. Maxwell,
Julian Tirado-Rives,
William L. Jorgensen:
A Comprehensive Study of the Rotational Energy Profiles of Orgenic Systems by Ab Initio MO Theory, Forming a Base for Pepetide Torsional Parameters.
Journal of Computational Chemistry 16(8): 984-1010 (1995) |
1994 |
4 | EE | Harold E. Helson,
William L. Jorgensen:
Computer-Assisted Mechanistic Evaluation of Organic Reactions. 25. Structure Diagram Positioning.
Journal of Chemical Information and Computer Sciences 34(4): 962-971 (1994) |
1990 |
3 | EE | Ellen R. Laird,
William L. Jorgensen:
Computer assisted analysis of reactions involving organic free radicals and diradicals.
Journal of Chemical Information and Computer Sciences 30(4): 458-466 (1990) |
1981 |
2 | EE | Barbara L. Roos-Kozel,
William L. Jorgensen:
Computer-assisted mechanistic evaluation of organic reactions. 2. Perception of rings, aromaticity, and tautomers.
Journal of Chemical Information and Computer Sciences 21(2): 101-111 (1981) |
1 | EE | Scott F. Smith,
William L. Jorgensen,
Philip L. Fuchs:
PULSAR: a personalized microcomputer-based system for keyword search and retrieval of literature information.
Journal of Chemical Information and Computer Sciences 21(4): 209-213 (1981) |