CHARMM36m: an improved force field for folded and intrinsically disordered proteins.
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ABSTRACT:
SUBMITTER: Huang J
PROVIDER: S-EPMC5199616 | biostudies-literature | 2017 Jan
REPOSITORIES: biostudies-literature
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CHARMM36m: an improved force field for folded and intrinsically disordered proteins.
Huang Jing J Rauscher Sarah S Nawrocki Grzegorz G Ran Ting T Feig Michael M de Groot Bert L BL Grubmüller Helmut H MacKerell Alexander D AD
Nature methods 20161107 1
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. ...[more]
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