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

Huang, J., Rauscher, S., Nawrocki, G., Ran, T., Feig, M., de Groot, B. L., et al. (2017). CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods, 14(1), 71-73. doi:10.1038/nmeth.4067.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-11D6-A Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-6466-2
Genre: Journal Article

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 Creators:
Huang, J., Author
Rauscher, S.1, Author              
Nawrocki, G., Author
Ran, T., Author
Feig, M., Author
de Groot, B. L.2, Author              
Grubmüller, H.1, Author              
MacKerell, A. D., Author
Affiliations:
1Department of Theoretical and Computational Biophysics, MPI for Biophysical Chemistry, Max Planck Society, ou_578631              
2Research Group of Computational Biomolecular Dynamics, MPI for biophysical chemistry, Max Planck Society, ou_578573              

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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.

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Language(s): eng - English
 Dates: 2016-11-072017-01
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1038/nmeth.4067
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Title: Nature Methods
Source Genre: Journal
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Pages: - Volume / Issue: 14 (1) Sequence Number: - Start / End Page: 71 - 73 Identifier: -