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Structural Determinants of Indole-2-carboxamides: Identification of Lead Acetamides with Pan Antimycobacterial Activity.
Bhattarai P, Hegde P, Li W, Prathipati PK, Stevens CM, Yang L, Zhou H, Pandya A, Cunningham K, Grissom J, Roman Sotelo M, Sowards M, Calisto L, Destache CJ, Rocha-Sanchez S, Gumbart JC, Zgurskaya HI, Jackson M, North EJ. Bhattarai P, et al. Among authors: gumbart jc. J Med Chem. 2023 Jan 12;66(1):170-187. doi: 10.1021/acs.jmedchem.2c00352. Epub 2022 Dec 23. J Med Chem. 2023. PMID: 36563291 Free PMC article.
A partial human LCK defect causes a T cell immunodeficiency with intestinal inflammation.
Lui VG, Hoenig M, Cabrera-Martinez B, Baxter RM, Garcia-Perez JE, Bailey O, Acharya A, Lundquist K, Capera J, Matusewicz P, Hartl FA, D'Abramo M, Alba J, Jacobsen EM, Niewolik D, Lorenz M, Pannicke U, Schulz AS, Debatin KM, Schamel WW, Minguet S, Gumbart JC, Dustin ML, Cambier JC, Schwarz K, Hsieh EWY. Lui VG, et al. Among authors: gumbart jc. J Exp Med. 2024 Jan 1;221(1):e20230927. doi: 10.1084/jem.20230927. Epub 2023 Nov 14. J Exp Med. 2024. PMID: 37962568 Free PMC article.
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.
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. 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.
Free energy of nascent-chain folding in the translocon.
Gumbart J, Chipot C, Schulten K. Gumbart J, et al. J Am Chem Soc. 2011 May 18;133(19):7602-7. doi: 10.1021/ja2019299. Epub 2011 Apr 27. J Am Chem Soc. 2011. PMID: 21524073 Free PMC article.
158 results