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Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides

Obtaining the correct balance of secondary structure propensities is a central priority in protein force-field development. Given that current force fields differ significantly in their α-helical propensities, a correction to match experimental results would be highly desirable. We have determined s...

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Autors principals: Best, Robert B., Hummer, Gerhard
Format: Artigo
Idioma:Inglês
Publicat: 2009
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3115786/
https://ncbi.nlm.nih.gov/pubmed/19514729
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp901540t
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