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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: Sieradzan, Adam K., Krupa, Paweł, Scheraga, Harold A., Liwo, Adam, Czaplewski, Cezary
Format: Artigo
Idioma:Inglês
Publicat: 2015
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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