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William L. Jorgensen

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2006
19EEWilliam L. Jorgensen: QSAR/QSPR and Proprietary Data. Journal of Chemical Information and Modeling 46(3): 937 (2006)
2005
18EEWilliam L. Jorgensen: Journal of Chemical Information and Modeling. Journal of Chemical Information and Modeling 45(1): 1 (2005)
17EEWilliam 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
16EEIvan 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)
15EEMarina 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
14EEMatthew P. Repasky, Jayaraman Chandrasekhar, William L. Jorgensen: PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods. Journal of Computational Chemistry 23(16): 1601-1622 (2002)
13EEMatthew 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
12EEMelissa 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)
11EEJayaraman 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)
10EEDaniel 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
9EEWilliam 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
8EEJulian 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
4EEHarold 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
3EEEllen 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
2EEBarbara 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)
1EEScott 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)

Coauthor Index

1Jayaraman Chandrasekhar [11] [13] [14]
2Jonathan W. Essex [6] [7]
3Philip L. Fuchs [1]
4Cristiano Ruch Werneck Guimarães [16]
5Harold E. Helson [4]
6Corky Jenson [9]
7Ellen R. Laird [3]
8David S. Maxwell [5]
9Dennis Ostrovsky [12]
10Shoshannah A. Pearlman [15]
11Daniel J. Price [10]
12Melissa L. P. Price [12]
13Matthew P. Repasky [13] [14] [16]
14Barbara L. Roos-Kozel [2]
15Martin Saunders [11]
16Daniel L. Severance [7]
17Scott F. Smith [1]
18Patricia Morales De Tirado [15]
19Julian Tirado-Rives [5] [8] [17]
20Ivan Tubert-Brohman [16]
21Marina Udier-Blagovi [15]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)