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Conformational Sampling of Maltose-transporter Components in Cartesian Collective Variables is Governed by the Low-frequency Normal Modes

We have studied large-scale conformational transitions in the maltose-binding protein, and the nucleotide binding domains of a maltose-transporter using enhanced conformational sampling in Cartesian collective variables (CVs) with temperature-accelerated molecular dynamics (TAMD), and C(α)-based ela...

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Detalhes bibliográficos
Main Authors: Vashisth, H., Brooks, C. L.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3505029/
https://ncbi.nlm.nih.gov/pubmed/23185650
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jz301650q
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