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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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Detalles Bibliográficos
Autores principales:	Li, Xinbi, Ponomarev, Sergei Y., Sigalovsky, Daniel L., Cvitkovic, John P., Kaminski, George A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4230370/ https://www.ncbi.nlm.nih.gov/pubmed/25400518 http://dx.doi.org/10.1021/ct500243k

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