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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.
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.
Architecture and assembly of the Gram-positive cell wall.
Beeby M, Gumbart JC, Roux B, Jensen GJ. Beeby M, et al. Among authors: gumbart jc. Mol Microbiol. 2013 May;88(4):664-72. doi: 10.1111/mmi.12203. Epub 2013 Apr 22. Mol Microbiol. 2013. PMID: 23600697 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.
Self-assembly of photosynthetic membranes.
Hsin J, Chandler DE, Gumbart J, Harrison CB, Sener M, Strumpfer J, Schulten K. Hsin J, et al. Chemphyschem. 2010 Apr 26;11(6):1154-9. doi: 10.1002/cphc.200900911. Chemphyschem. 2010. PMID: 20183845 Free PMC article. Review.
149 results