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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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| Publicado no: | Biophys J |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2019
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| Assuntos: | |
| Acesso em linha: | 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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