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POSSIM: Parameterizing Complete Second-Order Polarizable Force Field for Proteins
[Image: see text] Previously, we reported development of a fast polarizable force field and software named POSSIM (POlarizable Simulations with Second order Interaction Model). The second-order approximation permits the speed up of the polarizable component of the calculations by ca. an order of mag...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4230370/ https://ncbi.nlm.nih.gov/pubmed/25400518 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500243k |
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