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A smoothly decoupled particle interface: New methods for coupling explicit and implicit solvent
A common theme of studies using molecular simulation is a necessary compromise between computational efficiency and resolution of the forcefield that is used. Significant efforts have been directed at combining multiple levels of granularity within a single simulation in order to maintain the effici...
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| Autores principales: | , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
American Institute of Physics
2011
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3143680/ https://ncbi.nlm.nih.gov/pubmed/21663340 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3595262 |
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