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Polarizable Simulations with Second order Interaction Model (POSSIM) force field: Developing parameters for protein side-chain analogues

A previously introduced POSSIM (POlarizable Simulations with Second order Interaction Model) force field has been extended to include parameters for small molecules serving as models for peptide and protein side-chains. Parameters have been fitted to permit reproducing many-body energies, gas-phase...

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Detalhes bibliográficos
Main Authors: Li, Xinbi, Ponomarev, Sergei Y., Sa, Qina, Sigalovsky, Daniel L., Kaminski, George A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3633718/
https://ncbi.nlm.nih.gov/pubmed/23420678
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23248
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