Rotamer Dynamics: Analysis of Rotamers in Molecular Dynamics Simulations of Proteins

Given by χ torsional angles, rotamers describe the side-chain conformations of amino acid residues in a protein based on the rotational isomers (hence the word rotamer). Constructed rotamer libraries, based on either protein crystal structures or dynamics studies, are the tools for classifying rotam...

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Bibliographic Details
Published in:Biophys J
Main Authors: Haddad, Yazan, Adam, Vojtech, Heger, Zbynek
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2019
Subjects:
Biophysical Perspective
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6554459/
https://ncbi.nlm.nih.gov/pubmed/31084902
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2019.04.017
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