CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Nature methods, 2017•nature.com
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.
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.
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.
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