Choice of Force Field for Proteins Containing Structured and Intrinsically Disordered Regions

Biomolecular force fields optimized for globular proteins fail to properly reproduce properties of intrinsically disordered proteins. In particular, parameters of the water model need to be modified to improve applicability of the force fields to both ordered and disordered proteins. Here, we compar...

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Publicado no:Biophys J
Main Authors: Zapletal, Vojtěch, Mládek, Arnošt, Melková, Kateřina, Louša, Petr, Nomilner, Erik, Jaseňáková, Zuzana, Kubáň, Vojtěch, Makovická, Markéta, Laníková, Alice, Žídek, Lukáš, Hritz, Jozef
Formato: Artigo
Idioma:Inglês
Publicado em: The Biophysical Society 2020
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Articles
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7136338/
https://ncbi.nlm.nih.gov/pubmed/32367806
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2020.02.019
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