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Polarization effects in molecular mechanical force fields
The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations. First, we briefly examine currently used molecular mechanical force fields and the current status of intermolecular forces as viewed by quantum mechanical...
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| Main Authors: | , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2009
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4020598/ https://ncbi.nlm.nih.gov/pubmed/21828594 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/0953-8984/21/33/333102 |
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