Free energy of conformational transition paths in biomolecules: The string method and its application to myosin VI

A set of techniques developed under the umbrella of the string method is used in combination with all-atom molecular dynamics simulations to analyze the conformation change between the prepowerstroke (PPS) and rigor (R) structures of the converter domain of myosin VI. The challenges specific to the...

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Hlavní autoři: Ovchinnikov, Victor, Karplus, Martin, Vanden-Eijnden, Eric
Médium: Artigo
Jazyk:Inglês
Vydáno: American Institute of Physics 2011
Témata:
Biological Molecules, Biopolymers, and Biological Systems
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3060930/
https://ncbi.nlm.nih.gov/pubmed/21361558
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3544209
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