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139 results
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Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides.
Tang CL, Alexov E, Pyle AM, Honig B. Tang CL, et al. Among authors: alexov e. J Mol Biol. 2007 Mar 9;366(5):1475-96. doi: 10.1016/j.jmb.2006.12.001. Epub 2006 Dec 6. J Mol Biol. 2007. PMID: 17223134
Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties.
Alexov EG, Gunner MR. Alexov EG, et al. Biophys J. 1997 May;72(5):2075-93. doi: 10.1016/S0006-3495(97)78851-9. Biophys J. 1997. PMID: 9129810 Free PMC article.
A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins.
Gunner MR, Alexov E. Gunner MR, et al. Among authors: alexov e. Biochim Biophys Acta. 2000 May 12;1458(1):63-87. doi: 10.1016/s0005-2728(00)00060-8. Biochim Biophys Acta. 2000. PMID: 10812025 Review.
Role of the protein side-chain fluctuations on the strength of pair-wise electrostatic interactions: comparing experimental with computed pK(a)s.
Alexov E. Alexov E. Proteins. 2003 Jan 1;50(1):94-103. doi: 10.1002/prot.10265. Proteins. 2003. PMID: 12471602
Using multiple structure alignments, fast model building, and energetic analysis in fold recognition and homology modeling.
Petrey D, Xiang Z, Tang CL, Xie L, Gimpelev M, Mitros T, Soto CS, Goldsmith-Fischman S, Kernytsky A, Schlessinger A, Koh IY, Alexov E, Honig B. Petrey D, et al. Among authors: alexov e. Proteins. 2003;53 Suppl 6:430-5. doi: 10.1002/prot.10550. Proteins. 2003. PMID: 14579332
On the role of structural information in remote homology detection and sequence alignment: new methods using hybrid sequence profiles.
Tang CL, Xie L, Koh IY, Posy S, Alexov E, Honig B. Tang CL, et al. Among authors: alexov e. J Mol Biol. 2003 Dec 12;334(5):1043-62. doi: 10.1016/j.jmb.2003.10.025. J Mol Biol. 2003. PMID: 14643665
Numerical calculations of the pH of maximal protein stability. The effect of the sequence composition and three-dimensional structure.
Alexov E. Alexov E. Eur J Biochem. 2004 Jan;271(1):173-85. doi: 10.1046/j.1432-1033.2003.03917.x. Eur J Biochem. 2004. PMID: 14686930
Experimental and numerical study of the poplar plastocyanin isoforms using Tyr as a probe for electrostatic similarity and dissimilarity.
Shosheva A, Donchev A, Dimitrov M, Zlatanov I, Toromanov G, Getov V, Alexov E. Shosheva A, et al. Among authors: alexov e. Biochim Biophys Acta. 2004 Apr 8;1698(1):67-75. doi: 10.1016/j.bbapap.2003.10.010. Biochim Biophys Acta. 2004. PMID: 15063316
Characterizing a partially folded intermediate of the villin headpiece domain under non-denaturing conditions: contribution of His41 to the pH-dependent stability of the N-terminal subdomain.
Grey MJ, Tang Y, Alexov E, McKnight CJ, Raleigh DP, Palmer AG 3rd. Grey MJ, et al. Among authors: alexov e. J Mol Biol. 2006 Feb 3;355(5):1078-94. doi: 10.1016/j.jmb.2005.11.001. Epub 2005 Nov 16. J Mol Biol. 2006. PMID: 16332376
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