Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors

Structure and dynamics are essential elements of protein function. Protein structure is constantly fluctuating and undergoing conformational changes, which are captured by molecular dynamics (MD) simulations. We introduce a computational framework that provides a compact representation of the dynami...

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Bibliographic Details
Published in:Comput Struct Biotechnol J
Main Authors: Gaieb, Zied, Morikis, Dimitrios
Format: Artigo
Language:Inglês
Published: Research Network of Computational and Structural Biotechnology 2017
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5271675/
https://ncbi.nlm.nih.gov/pubmed/28149485
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2017.01.001
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