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Robustness in the fitting of molecular mechanics parameters.
Vanommeslaeghe K, Yang M, MacKerell AD Jr. Vanommeslaeghe K, et al. J Comput Chem. 2015 May 30;36(14):1083-101. doi: 10.1002/jcc.23897. Epub 2015 Mar 31. J Comput Chem. 2015. PMID: 25826578 Free PMC article.
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.
35 results