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Development of Polarizable Models for Molecular Mechanical Calculations IV: van der Waals parameterization
In the previous publications of this series, we presented a set of Thole induced dipole interaction models using four types of screening functions. In this work, we document our effort to refine the van der Waals parameters for the Thole polarizable models. Following the philosophy of AMBER force fi...
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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/PMC3391542/ https://ncbi.nlm.nih.gov/pubmed/22612331 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp3019759 |
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