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Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity
[Image: see text] Carbonic anhydrases (CAs) catalyze the physiological hydration of carbon dioxide and are among the most intensely studied pharmaceutical target enzymes. A hallmark of CA inhibition is the complexation of the catalytic zinc cation in the active site. Human (h) CA isoforms belonging...
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| Yayımlandı: | ACS Omega |
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| Asıl Yazarlar: | , , , , , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
American Chemical Society
2021
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| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7876851/ https://ncbi.nlm.nih.gov/pubmed/33585783 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c06153 |
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