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Incorporating Polarizability of Backbone Hydrogen Bonds Improved Folding of Short α-Helical Peptides

Reliability of force fields is an essential aspect of protein-folding simulation. In this work, we introduced a newly developed on-the-fly charge-updating scheme called the polarized structure-specific backbone charge (PSBC) model. The PSBC model was designed with the purpose of building the polariz...

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Bibliografske podrobnosti
izdano v:Biophys J
Main Authors: Zhang, Dawei, Lazim, Raudah, Yip, Yew Mun
Format: Artigo
Jezik:Inglês
Izdano: The Biophysical Society 2019
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6895711/
https://ncbi.nlm.nih.gov/pubmed/31685242
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2019.10.020
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