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Extensive tests and evaluation of the CHARMM36IDPSFF force field for intrinsically disordered proteins and folded proteins

Intrinsically disordered proteins (IDPs) have received increasing attention in recent studies due to their structural heterogeneity and critical biological functions. To fully understand the structural properties and determine accurate ensembles of IDPs, molecular dynamics (MD) simulation was widely...

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Detalhes bibliográficos
Publicado no:Phys Chem Chem Phys
Main Authors: Liu, Hao, Song, Dong, Zhang, Yangpeng, Yang, Sheng, Luo, Ray, Chen, Hai-Feng
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7198049/
https://ncbi.nlm.nih.gov/pubmed/31552948
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9cp03434j
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