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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.
Roos K, Wu C, Damm W, Reboul M, Stevenson JM, Lu C, Dahlgren MK, Mondal S, Chen W, Wang L, Abel R, Friesner RA, Harder ED. Roos K, et al. Among authors: wu c. J Chem Theory Comput. 2019 Mar 12;15(3):1863-1874. doi: 10.1021/acs.jctc.8b01026. Epub 2019 Mar 4. J Chem Theory Comput. 2019. PMID: 30768902
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins.
Harder E, Damm W, Maple J, Wu C, Reboul M, Xiang JY, Wang L, Lupyan D, Dahlgren MK, Knight JL, Kaus JW, Cerutti DS, Krilov G, Jorgensen WL, Abel R, Friesner RA. Harder E, et al. Among authors: wu c. J Chem Theory Comput. 2016 Jan 12;12(1):281-96. doi: 10.1021/acs.jctc.5b00864. Epub 2015 Dec 1. J Chem Theory Comput. 2016. PMID: 26584231
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.
Lu C, Wu C, Ghoreishi D, Chen W, Wang L, Damm W, Ross GA, Dahlgren MK, Russell E, Von Bargen CD, Abel R, Friesner RA, Harder ED. Lu C, et al. Among authors: wu c. J Chem Theory Comput. 2021 Jul 13;17(7):4291-4300. doi: 10.1021/acs.jctc.1c00302. Epub 2021 Jun 7. J Chem Theory Comput. 2021. PMID: 34096718
Accurate Force Field Development for Modeling Conjugated Polymers.
DuBay KH, Hall ML, Hughes TF, Wu C, Reichman DR, Friesner RA. DuBay KH, et al. Among authors: wu c. J Chem Theory Comput. 2012 Nov 13;8(11):4556-69. doi: 10.1021/ct300175w. Epub 2012 Oct 10. J Chem Theory Comput. 2012. PMID: 26605615
Molecular dynamics of β-hairpin models of epigenetic recognition motifs.
Zheng X, Wu C, Ponder JW, Marshall GR. Zheng X, et al. Among authors: wu c. J Am Chem Soc. 2012 Sep 26;134(38):15970-8. doi: 10.1021/ja306803v. Epub 2012 Sep 17. J Am Chem Soc. 2012. PMID: 22934656 Free PMC article.
AMOEBA, a second-generation force field (Ponder, J. W.; Wu, C.; Ren, P.; Pande, V. S.; Chodera, J. D.; Schnieders, M. J.; Haque, I.; Mobley, D. ...Distances between the centers of the indole rings of the two-tryptophan residues, 2 and 4, and the epsilon-methylated a …
AMOEBA, a second-generation force field (Ponder, J. W.; Wu, C.; Ren, P.; Pande, V. S.; Chodera, J. D.; Schnieders, M. J.; Haqu …
AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids.
Zhang C, Lu C, Jing Z, Wu C, Piquemal JP, Ponder JW, Ren P. Zhang C, et al. Among authors: wu c. J Chem Theory Comput. 2018 Apr 10;14(4):2084-2108. doi: 10.1021/acs.jctc.7b01169. Epub 2018 Mar 6. J Chem Theory Comput. 2018. PMID: 29438622 Free PMC article.
47,213 results
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