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Ensemble Docking in Drug Discovery
Ensemble docking corresponds to the generation of an “ensemble” of drug target conformations in computational structure-based drug discovery, often obtained by using molecular dynamics simulation, that is used in docking candidate ligands. This approach is now well established in the field of early-...
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| 出版年: | Biophys J |
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| 主要な著者: | , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
The Biophysical Society
2018
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6129458/ https://ncbi.nlm.nih.gov/pubmed/29606412 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2018.02.038 |
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