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Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease
[Image: see text] Molecular docking is a powerful tool used in drug discovery and structural biology for predicting the structures of ligand–receptor complexes. However, the accuracy of docking calculations can be limited by factors such as the neglect of protein reorganization in the scoring functi...
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| 出版年: | J Phys Chem B |
|---|---|
| 主要な著者: | , , , , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American Chemical
Society
2014
|
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4306491/ https://ncbi.nlm.nih.gov/pubmed/25189630 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp506376z |
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