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Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the united residue (UNRES) force field for protein simulations
The UNited RESidue (UNRES) model of polypeptide chains is a coarse-grained model in which each amino-acid residue is reduced to two interaction sites, namely a united peptide group (p) located halfway between the two neighboring α-carbon atoms (C(α)s), which serve only as geometrical points, and a u...
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| Publicat a: | J Chem Theory Comput |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4327884/ https://ncbi.nlm.nih.gov/pubmed/25691834 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500736a |
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