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Computational approaches to mapping allosteric pathways.
Curr Opin Struct Biol. 2014 Apr;25:98-103. doi: 10.1016/j.sbi.2014.02.004. Epub 2014 Mar 22.
Curr Opin Struct Biol. 2014.
PMID: 24667124
Free PMC article.
Review.
Exploring residue component contributions to dynamical network models of allostery.
Vanwart AT, Eargle J, Luthey-Schulten Z, Amaro RE.
Vanwart AT, et al.
J Chem Theory Comput. 2012 Aug 14;8(8):2949-2961. doi: 10.1021/ct300377a. Epub 2012 Jul 5.
J Chem Theory Comput. 2012.
PMID: 23139645
Free PMC article.
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Weighted Implementation of Suboptimal Paths (WISP): An Optimized Algorithm and Tool for Dynamical Network Analysis.
Van Wart AT, Durrant J, Votapka L, Amaro RE.
Van Wart AT, et al.
J Chem Theory Comput. 2014 Feb 11;10(2):511-517. doi: 10.1021/ct4008603. Epub 2014 Jan 14.
J Chem Theory Comput. 2014.
PMID: 24803851
Free PMC article.
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On the Application of Molecular-Dynamics Based Markov State Models to Functional Proteins.
Malmstrom RD, Lee CT, Van Wart A, Amaro RE.
Malmstrom RD, et al.
J Chem Theory Comput. 2014 Jul 8;10(7):2648-2657. doi: 10.1021/ct5002363.
J Chem Theory Comput. 2014.
PMID: 25473382
Free PMC article.
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