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Simulation of Multiphase Systems Utilizing Independent Force Fields to Control Intra-Phase and Inter-Phase Behavior
Fixed-charge empirical force fields have been developed and widely used over the past three decades for all-atom molecular simulations. Most simulation programs providing these methods enable only one set of force field parameters to be used for the entire system. While this is generally suitable fo...
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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4110183/ https://ncbi.nlm.nih.gov/pubmed/22488548 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.22979 |
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