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Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field
The effects of electronic polarization in biomolecular interactions will differ depending on the local dielectric constant of the environment, such as in solvent, DNA, proteins, and membranes. Here the performance of the AMOEBA polarizable force field is evaluated under nonaqueous conditions by calc...
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| Publicado no: | J Comput Chem |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5111595/ https://ncbi.nlm.nih.gov/pubmed/27757978 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24500 |
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