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Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?
Reversible covalent inhibitors have many clinical advantages over noncovalent or covalent drugs. However, apart from selecting a warhead, substantial efforts in design and synthesis are needed to optimize noncovalent interactions to improve target-selective binding. Computational prediction of bindi...
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| 發表在: | J Am Chem Soc |
|---|---|
| Main Authors: | , , , , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2017
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5729052/ https://ncbi.nlm.nih.gov/pubmed/29124934 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.7b08938 |
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