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Price, Daniel J., Brooks, Charles L. (2005) Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA. Journal of Computational Chemistry, 26 (14). 1529-1541 doi:10.1002/jcc.20284

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Reference TypeJournal (article/letter/editorial)
TitleDetailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA
JournalJournal of Computational Chemistry
AuthorsPrice, Daniel J.Author
Brooks, Charles L.Author
Year2005 (November 15)Volume26
Issue14
PublisherWiley
DOIdoi:10.1002/jcc.20284Search in ResearchGate
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Mindat Ref. ID3148385Long-form Identifiermindat:1:5:3148385:8
GUID0
Full ReferencePrice, Daniel J., Brooks, Charles L. (2005) Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA. Journal of Computational Chemistry, 26 (14). 1529-1541 doi:10.1002/jcc.20284
Plain TextPrice, Daniel J., Brooks, Charles L. (2005) Detailed considerations for a balanced and broadly applicable force field: A study of substituted benzenes modeled with OPLS-AA. Journal of Computational Chemistry, 26 (14). 1529-1541 doi:10.1002/jcc.20284
In(2005, November) Journal of Computational Chemistry Vol. 26 (14) Wiley

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Price, Melissa L. P., Ostrovsky, Dennis, Jorgensen, William L. (2001) 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 doi:10.1002/jcc.1092
Price, Daniel J., Brooks, Charles L. (2002) Modern protein force fields behave comparably in molecular dynamics simulations. Journal of Computational Chemistry, 23 (11). 1045-1057 doi:10.1002/jcc.10083
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
Yesselman, Joseph D., Price, Daniel J., Knight, Jennifer L., Brooks, Charles L. (2012) MATCH: An atom-typing toolset for molecular mechanics force fields. Journal of Computational Chemistry, 33 (2). 189-202 doi:10.1002/jcc.21963
Brooks, Charles L. (2005) Editorial. Journal of Computational Chemistry, 26 (16). 1667 doi:10.1002/jcc.20320
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
Zhang, Xuan, Wang, Yongtao, Yao, Jia, Li, Haoran, Mochizuki, Kenji (2022) A tiny charge‐scaling in the OPLS‐AA + L‐OPLS force field delivers the realistic dynamics and structure of liquid primary alcohols. Journal of Computational Chemistry, 43 (6) 421-430 doi:10.1002/jcc.26802
Kahn, Kalju, Bruice, Thomas C. (2002) Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides. Journal of Computational Chemistry, 23 (10). 977-996 doi:10.1002/jcc.10051
Komáromi, István, Owen, Michael C., Murphy, Richard F., Lovas, Sándor (2008) Development of glycyl radical parameters for the OPLS-AA/L force field. Journal of Computational Chemistry, 29 (12). 1999-2009 doi:10.1002/jcc.20962
Kony, D., Damm, W., Stoll, S., Van Gunsteren, W. F. (2002) An improved OPLS-AA force field for carbohydrates. Journal of Computational Chemistry, 23 (15). 1416-1429 doi:10.1002/jcc.10139
Wu, Guosheng, Robertson, Daniel H., Brooks, Charles L., Vieth, Michal (2003) Detailed analysis of grid-based molecular docking: A case study of CDOCKER?A CHARMm-based MD docking algorithm. Journal of Computational Chemistry, 24 (13). 1549-1562 doi:10.1002/jcc.10306
 
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