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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Váldodahkkit: Zied Gaieb, Dimitrios Morikis
Materiálatiipa: Artihkal
Giella:English
Almmustuhtton: Elsevier 2017-01-01
Ráidu:Computational and Structural Biotechnology Journal
Liŋkkat:http://www.sciencedirect.com/science/article/pii/S2001037016300769