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Jorgensen, William L., Laird, Ellen R., Nguyen, Toan B., Tirado-Rives, Julian (1993) Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 206-215 doi:10.1002/jcc.540140208

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Reference TypeJournal (article/letter/editorial)
TitleMonte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions
JournalJournal of Computational Chemistry
AuthorsJorgensen, William L.Author
Laird, Ellen R.Author
Nguyen, Toan B.Author
Tirado-Rives, JulianAuthor
Year1993 (February)Volume14
Issue2
PublisherWiley
DOIdoi:10.1002/jcc.540140208Search in ResearchGate
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Mindat Ref. ID3146045Long-form Identifiermindat:1:5:3146045:9
GUID0
Full ReferenceJorgensen, William L., Laird, Ellen R., Nguyen, Toan B., Tirado-Rives, Julian (1993) Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 206-215 doi:10.1002/jcc.540140208
Plain TextJorgensen, William L., Laird, Ellen R., Nguyen, Toan B., Tirado-Rives, Julian (1993) Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 206-215 doi:10.1002/jcc.540140208
In(1993, February) Journal of Computational Chemistry Vol. 14 (2) Wiley

See Also

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Jorgensen, William L., Nguyen, Toan B. (1993) Monte Carlo simulations of the hydration of substituted benzenes with OPLS potential functions. Journal of Computational Chemistry, 14 (2). 195-205 doi:10.1002/jcc.540140207
Briggs, James M., Matsui, Tooru, Jorgensen, William L. (1990) Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions. Journal of Computational Chemistry, 11 (8). 958-971 doi:10.1002/jcc.540110808
Briggs, James M., Nguyen, Toan B., Jorgensen, William L. (1991) Monte Carlo simulations of liquid acetic acid and methyl acetate with the OPLS potential functions. The Journal of Physical Chemistry, 95 (8). 3315-3322 doi:10.1021/j100161a065
Jorgensen, William L., Tirado-Rives, Julian (1988) The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin. Journal Of The American Chemical Society, 110 (6) 1657-1666 doi:10.1021/ja00214a001
Jorgensen, William L., Tirado-Rives, Julian (2005) Molecular modeling of organic and biomolecular systems usingBOSS andMCPRO. Journal of Computational Chemistry, 26 (16). 1689-1700 doi:10.1002/jcc.20297
Damm, Wolfgang, Frontera, Antonio, Tirado-Rives, Julian, Jorgensen, William L. (1997) OPLS all-atom force field for carbohydrates. Journal of Computational Chemistry, 18 (16). 1955-1970 doi:10.1002/(sici)1096-987x(199712)18:16<1955::aid-jcc1>3.0.co;2-l
Tirado-Rives, Julian, Jorgensen, William L. (1990) Molecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water. Journal Of The American Chemical Society, 112 (7) 2773-2781 doi:10.1021/ja00163a046
Jorgensen, William L., Tirado-Rives, Julian (1997) Monte Carlo vs Molecular Dynamics for Conformational Sampling. The Journal of Physical Chemistry A, 101 (15). 2916 doi:10.1021/jp9702917
Jorgensen, William L., Tirado-Rives, Julian (1996) Monte Carlo vs Molecular Dynamics for Conformational Sampling. The Journal of Physical Chemistry, 100 (34). 14508-14513 doi:10.1021/jp960880x
Essex, Jonathan W., Severance, Daniel L., Tirado-Rives, Julian, Jorgensen, William L. (1997) Monte Carlo Simulations for Proteins:  Binding Affinities for Trypsin−Benzamidine Complexes via Free-Energy Perturbations. The Journal of Physical Chemistry B, 101 (46). 9663-9669 doi:10.1021/jp971990m
Vilseck, Jonah Z., Kostal, Jakub, Tirado-Rives, Julian, Jorgensen, William L. (2015) Application of a BOSS-Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions. Journal of Computational Chemistry, 36 (27). 2064-2074 doi:10.1002/jcc.24045
 
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