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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

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Reference TypeJournal (article/letter/editorial)
TitleMolecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water
JournalJournal Of The American Chemical Society
AuthorsTirado-Rives, JulianAuthor
Jorgensen, William L.Author
Year1990 (March)Volume112
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00163a046Search in ResearchGate
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Mindat Ref. ID1447377Long-form Identifiermindat:1:5:1447377:5
GUID0
Full ReferenceTirado-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
Plain TextTirado-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
In(1990, March) Journal Of The American Chemical Society Vol. 112 (7) American Chemical Society (ACS)

See Also

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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., 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
Jorgensen, William L., Maxwell, David S., Tirado-Rives, Julian (1996) Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids. Journal Of The American Chemical Society, 118 (45) 11225-11236 doi:10.1021/ja9621760
Tirado-Rives, Julian, Maxwell, David S., Jorgensen, William L. (1993) Molecular dynamics and Monte Carlo simulations favor the .alpha.-helical form for alanine-based peptides in water. Journal Of The American Chemical Society, 115 (24) 11590-11593 doi:10.1021/ja00077a066
Kaminski, George A., Friesner, Richard A., Tirado-Rives, Julian, Jorgensen, William L. (2001) Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides†. The Journal of Physical Chemistry B, 105 (28). 6474-6487 doi:10.1021/jp003919d
Thomas, Laura L., Tirado-Rives, Julian, Jorgensen, William L. (2010) Quantum Mechanical/Molecular Mechanical Modeling Finds Diels−Alder Reactions Are Accelerated Less on the Surface of Water Than in Water. Journal Of The American Chemical Society, 132 (9) 3097-3104 doi:10.1021/ja909740y
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
Robertson, Michael J., Tirado-Rives, Julian, Jorgensen, William L. (2017) Improved treatment of nucleosides and nucleotides in the OPLS-AA force field. Chemical Physics Letters, 683. 276-280 doi:10.1016/j.cplett.2017.02.049
Michel, Julien, Tirado-Rives, Julian, Jorgensen, William L. (2009) Energetics of Displacing Water Molecules from Protein Binding Sites: Consequences for Ligand Optimization. Journal Of The American Chemical Society, 131 (42) 15403-15411 doi:10.1021/ja906058w
Jorgensen, William L., Ghahremanpour, Mohammad M., Saar, Anastasia, Tirado-Rives, Julian (2024) OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers. The Journal of Physical Chemistry B, 128 (1) 250-262 doi:10.1021/acs.jpcb.3c06602
 
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