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Flexible ligand docking to multiple receptor conformations: a practical alternative
State of the art docking algorithms predict an incorrect binding pose for about 50 to 70% of all ligands when only a single fixed receptor conformation is considered. In many more cases, lack of receptor flexibility results in meaningless ligand binding scores, even when the correct pose is obtained...
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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: |
2008
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2396190/ https://ncbi.nlm.nih.gov/pubmed/18302984 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2008.01.004 |
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