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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.
Lipopolysaccharide membrane building and simulation.
Jo S, Wu EL, Stuhlsatz D, Klauda JB, MacKerell AD Jr, Widmalm G, Im W. Jo S, et al. Methods Mol Biol. 2015;1273:391-406. doi: 10.1007/978-1-4939-2343-4_24. Methods Mol Biol. 2015. PMID: 25753722 Free PMC article.
99 results