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ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

[Image: see text] We present the ff14ipq force field, implementing the previously published IPolQ charge set for simulations of complete proteins. Minor modifications to the charge derivation scheme and van der Waals interactions between polar atoms are introduced. Torsion parameters are developed t...

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Detalhes bibliográficos
Main Authors: Cerutti, David S., Swope, William C., Rice, Julia E., Case, David A.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4196740/
https://ncbi.nlm.nih.gov/pubmed/25328495
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500643c
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