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SAMPL4 & DOCK3.7: Lessons for automated docking procedures
The SAMPL4 challenges were used to test current automated methods for solvation energy, virtual screening, pose and affinity prediction of the molecular docking pipeline DOCK 3.7. Additionally, first-order models of binding affinity were proposed as milestones for any method predicting binding affin...
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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: |
2014
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4006303/ https://ncbi.nlm.nih.gov/pubmed/24515818 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9722-6 |
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