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 en:Biophys J
Autores principales: Zapletal, Vojtěch, Mládek, Arnošt, Melková, Kateřina, Louša, Petr, Nomilner, Erik, Jaseňáková, Zuzana, Kubáň, Vojtěch, Makovická, Markéta, Laníková, Alice, Žídek, Lukáš, Hritz, Jozef
Formato: Artigo
Lenguaje:Inglês
Publicado: The Biophysical Society 2020
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Articles
Acceso en línea: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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