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Maximum Flux Transition Paths of Conformational Change

Given two metastable states A and B of a biomolecular system, the problem is to calculate the likely paths of the transition from A to B. Such a calculation is more informative and more manageable if done for a reduced set of collective variables chosen so that paths cluster in collective variable s...

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Bibliographic Details
Main Authors: Zhao, Ruijun, Shen, Juanfang, Skeel, Robert D.
Format: Artigo
Language:Inglês
Published: 2010
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2946645/
https://ncbi.nlm.nih.gov/pubmed/20890401
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900689m
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