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The Importance of Dispersion and Electron Correlation in ab initio “ab initio” Protein Folding
Dispersion is well known to be important in biological systems, but the effect of electron correlation in such systems remains unclear. In order to assess the relationship between the structure of a protein and its electron correlation energy, we employed both full system Hartree-Fock (HF) and secon...
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| 主要な著者: | , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2009
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2737261/ https://ncbi.nlm.nih.gov/pubmed/19320454 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp8106952 |
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