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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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Detalles Bibliográficos
Autores principales:	Cerutti, David S., Swope, William C., Rice, Julia E., Case, David A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4196740/ https://www.ncbi.nlm.nih.gov/pubmed/25328495 http://dx.doi.org/10.1021/ct500643c

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