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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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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2016
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| Acesso em linha: | 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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