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The Design of a Next Generation Force Field: The X-POL Potential
An electronic structure-based polarization method, called the X-POL potential, has been described for the purpose of constructing an empirical force field for modeling polypeptides. In the X-POL potential, the internal, bonded interactions are fully represented by an electronic structure theory augm...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2577589/ https://ncbi.nlm.nih.gov/pubmed/18985172 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct700167b |
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