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Toward the Accuracy and Speed of Protein Side-Chain Packing: A Systematic Study on Rotamer Libraries

Protein rotamers refer to the conformational isomers taken by the side-chains of amino acids to accommodate specific structural folding environments. Since accurate modeling of atomic interactions is difficult, rotamer information collected from experimentally solved protein structures is often used...

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Bibliographic Details
Published in:J Chem Inf Model
Main Authors: Huang, Xiaoqiang, Pearce, Robin, Zhang, Yang
Format: Artigo
Language:Inglês
Published: 2019
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7938712/
https://ncbi.nlm.nih.gov/pubmed/31851497
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00812
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