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(Ala)(4)-X-(Ala)(4) as a model system for the optimization of the χ(1) and χ(2) amino acid side-chain dihedral empirical force field parameters

Amino acid side-chain fluctuations play an essential role in the structure and function of proteins. Accordingly, in theoretical studies of proteins it is important to have an accurate description of their conformational properties. Recently, new side-chain torsion parameters were introduced into th...

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Detalhes bibliográficos
Main Authors: Shim, Jihyun, Zhu, Xiao, Best, Robert B., MacKerell, Alexander D.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3570682/
https://ncbi.nlm.nih.gov/pubmed/23197420
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23178
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