CHARMM36m: an improved force field for folded and intrinsically disordered proteins.
basic_science · Level V
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- Record sourced from PubMed, PMID 27819658.
- Also identified by DOI 10.1038/nmeth.4067 and PMC identifier 5199616.
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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.
Medical subject headings
- Intrinsically Disordered Proteins
- Molecular Dynamics Simulation
- Protein Folding