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Page 1
Molecular mechanics.
Vanommeslaeghe K, Guvench O, MacKerell AD Jr. Vanommeslaeghe K, et al. Curr Pharm Des. 2014;20(20):3281-92. doi: 10.2174/13816128113199990600. Curr Pharm Des. 2014. PMID: 23947650 Free PMC article. Review.
CHARMM-GUI 10 years for biomolecular modeling and simulation.
Jo S, Cheng X, Lee J, Kim S, Park SJ, Patel DS, Beaven AH, Lee KI, Rui H, Park S, Lee HS, Roux B, MacKerell AD Jr, Klauda JB, Qi Y, Im W. Jo S, et al. J Comput Chem. 2017 Jun 5;38(15):1114-1124. doi: 10.1002/jcc.24660. Epub 2016 Nov 14. J Comput Chem. 2017. PMID: 27862047 Free PMC article. Review.
Force Fields for Small Molecules.
Lin FY, MacKerell AD Jr. Lin FY, et al. Methods Mol Biol. 2019;2022:21-54. doi: 10.1007/978-1-4939-9608-7_2. Methods Mol Biol. 2019. PMID: 31396898 Free PMC article.
95 results