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Links between the charge model and bonded parameter force constants in biomolecular force fields
The ff15ipq protein force field is a fixed charge model built by automated tools based on the two charge sets of the implicitly polarized charge method: one set (appropriate for vacuum) for deriving bonded parameters and the other (appropriate for aqueous solution) for running simulations. The duali...
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| Publicado no: | J Chem Phys |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5669220/ https://ncbi.nlm.nih.gov/pubmed/29096508 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4985866 |
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