Partial Least-Squares Functional Mode Analysis: Application to the Membrane Proteins AQP1, Aqy1, and CLC-ec1

We introduce an approach based on the recently introduced functional mode analysis to identify collective modes of internal dynamics that maximally correlate to an external order parameter of functional interest. Input structural data can be either experimentally determined structure ensembles or si...

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Bibliografiske detaljer
Main Authors: Krivobokova, Tatyana, Briones, Rodolfo, Hub, Jochen S., Munk, Axel, de Groot, Bert L.
Format: Artigo
Sprog:Inglês
Udgivet: The Biophysical Society 2012
Fag:
Proteins and Nucleic Acids
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3443789/
https://ncbi.nlm.nih.gov/pubmed/22947940
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.07.022
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