CHARMM36m: An improved force field for folded and intrinsically disordered proteins

被引：0

作者：

Huang J. ^{[1
]}

Rauscher S. ^{[2
]}

Nawrocki G. ^{[3
]}

Ran T. ^{[1
]}

Feig M. ^{[3
]}

De Groot B.L. ^{[2
]}

Grubmüller H. ^{[2
]}

MacKerell A.D., Jr. ^{[1
]}

机构：

[1] Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, MD

[2] Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Göttingen

[3] Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI

来源：

Nature Methods | 2017年 / 14卷 / 1期

基金：

美国国家卫生研究院;

关键词：

D O I：

10.1038/nmeth.4067

中图分类号：

学科分类号：

摘要：

The all-atom additive CHARMM36 protein force field is widely used in molecular modeling and simulations. We present its refinement, CHARMM36m (http://mackerell.umaryland.edu/charmm-ff.shtml), with improved accuracy in generating polypeptide backbone conformational ensembles for intrinsically disordered peptides and proteins. © 2017 Nature America, Inc., part of Springer Nature. All rights reserved.

引用

页码：71 / 73

页数：2

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