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Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement using Quantum Mechanical Base Stacking and Conformational Energetics
Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used...
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| 出版年: | J Chem Theory Comput |
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| 主要な著者: | , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2017
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5484419/ https://ncbi.nlm.nih.gov/pubmed/28399366 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00067 |
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