Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model

[Image: see text] We present the AMBER ff15ipq force field for proteins, the second-generation force field developed using the Implicitly Polarized Q (IPolQ) scheme for deriving implicitly polarized atomic charges in the presence of explicit solvent. The ff15ipq force field is a complete rederivatio...

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Publicat a:J Chem Theory Comput
Autors principals: Debiec, Karl T., Cerutti, David S., Baker, Lewis R., Gronenborn, Angela M., Case, David A., Chong, Lillian T.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2016
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4980686/
https://ncbi.nlm.nih.gov/pubmed/27399642
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00567
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