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Scalable molecular dynamics with NAMD.
Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L, Schulten K. Phillips JC, et al. Among authors: gumbart j. J Comput Chem. 2005 Dec;26(16):1781-802. doi: 10.1002/jcc.20289. J Comput Chem. 2005. PMID: 16222654 Free PMC article.
Presence of substrate aids lateral gate separation in LptD.
Lundquist KP, Gumbart JC. Lundquist KP, et al. Biochim Biophys Acta Biomembr. 2020 Jan 1;1862(1):183025. doi: 10.1016/j.bbamem.2019.07.013. Epub 2019 Jul 25. Biochim Biophys Acta Biomembr. 2020. PMID: 31351059 Free PMC article.
Molecular dynamics simulations of proteins in lipid bilayers.
Gumbart J, Wang Y, Aksimentiev A, Tajkhorshid E, Schulten K. Gumbart J, et al. Curr Opin Struct Biol. 2005 Aug;15(4):423-31. doi: 10.1016/j.sbi.2005.07.007. Curr Opin Struct Biol. 2005. PMID: 16043343 Free PMC article. Review.
Molecular dynamics simulations of membrane channels and transporters.
Khalili-Araghi F, Gumbart J, Wen PC, Sotomayor M, Tajkhorshid E, Schulten K. Khalili-Araghi F, et al. Among authors: gumbart j. Curr Opin Struct Biol. 2009 Apr;19(2):128-37. doi: 10.1016/j.sbi.2009.02.011. Epub 2009 Apr 1. Curr Opin Struct Biol. 2009. PMID: 19345092 Free PMC article. Review.
118 results