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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: tajkhorshid e. 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 study of the nature and origin of retinal's twisted structure in bacteriorhodopsin.
Tajkhorshid E, Baudry J, Schulten K, Suhai S. Tajkhorshid E, et al. Biophys J. 2000 Feb;78(2):683-93. doi: 10.1016/S0006-3495(00)76626-4. Biophys J. 2000. PMID: 10653781 Free PMC article.
Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer.
Zhu F, Tajkhorshid E, Schulten K. Zhu F, et al. Among authors: tajkhorshid e. FEBS Lett. 2001 Aug 31;504(3):212-8. doi: 10.1016/s0014-5793(01)02749-1. FEBS Lett. 2001. PMID: 11532456
The mechanism of glycerol conduction in aquaglyceroporins.
Jensen MO, Tajkhorshid E, Schulten K. Jensen MO, et al. Among authors: tajkhorshid e. Structure. 2001 Nov;9(11):1083-93. doi: 10.1016/s0969-2126(01)00668-2. Structure. 2001. PMID: 11709172
BACKGROUND: The E. coli glycerol facilitator, GlpF, selectively conducts glycerol and water, excluding ions and charged solutes. ...
BACKGROUND: The E. coli glycerol facilitator, GlpF, selectively conducts glycerol and water, excluding ions and charged solutes. ...
Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Tajkhorshid E, Nollert P, Jensen MØ, Miercke LJ, O'Connell J, Stroud RM, Schulten K. Tajkhorshid E, et al. Science. 2002 Apr 19;296(5567):525-30. doi: 10.1126/science.1067778. Science. 2002. PMID: 11964478
Energetics of glycerol conduction through aquaglyceroporin GlpF.
Jensen MØ, Park S, Tajkhorshid E, Schulten K. Jensen MØ, et al. Among authors: tajkhorshid e. Proc Natl Acad Sci U S A. 2002 May 14;99(10):6731-6. doi: 10.1073/pnas.102649299. Epub 2002 May 7. Proc Natl Acad Sci U S A. 2002. PMID: 11997475 Free PMC article.
Pressure-induced water transport in membrane channels studied by molecular dynamics.
Zhu F, Tajkhorshid E, Schulten K. Zhu F, et al. Among authors: tajkhorshid e. Biophys J. 2002 Jul;83(1):154-60. doi: 10.1016/S0006-3495(02)75157-6. Biophys J. 2002. PMID: 12080108 Free PMC article.
Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle.
Hayashi S, Tajkhorshid E, Schulten K. Hayashi S, et al. Among authors: tajkhorshid e. Biophys J. 2002 Sep;83(3):1281-97. doi: 10.1016/S0006-3495(02)73900-3. Biophys J. 2002. PMID: 12202355 Free PMC article.
Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin.
Saam J, Tajkhorshid E, Hayashi S, Schulten K. Saam J, et al. Among authors: tajkhorshid e. Biophys J. 2002 Dec;83(6):3097-112. doi: 10.1016/S0006-3495(02)75314-9. Biophys J. 2002. PMID: 12496081 Free PMC article.
Developing an energy landscape for the novel function of a (beta/alpha)8 barrel: ammonia conduction through HisF.
Amaro R, Tajkhorshid E, Luthey-Schulten Z. Amaro R, et al. Among authors: tajkhorshid e. Proc Natl Acad Sci U S A. 2003 Jun 24;100(13):7599-604. doi: 10.1073/pnas.1331150100. Epub 2003 Jun 10. Proc Natl Acad Sci U S A. 2003. PMID: 12799468 Free PMC article.
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