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Instantaneous Normal Modes as an Unforced Reaction Coordinate for Protein Conformational Transitions

We present a novel sampling approach to explore large protein conformational transitions by determining unique substates from instantaneous normal modes calculated from an elastic network model, and applied to a progression of atomistic molecular dynamics snapshots. This unbiased sampling scheme all...

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Bibliografiske detaljer
Main Authors: Peng, Cheng, Zhang, Liqing, Head-Gordon, Teresa
Format: Artigo
Sprog:Inglês
Udgivet: The Biophysical Society 2010
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2872262/
https://ncbi.nlm.nih.gov/pubmed/20483345
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.01.044
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