CHARMM36m: an improved force field for folded and intrinsically disordered proteins.

ABSTRACT: 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.

SUBMITTER: Huang J 

PROVIDER: S-EPMC5199616 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature