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DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders
Thanks to recent guidelines, the design of safe and effective covalent drugs has gained significant interest. Other than targeting non‐conserved nucleophilic residues, optimizing the noncovalent binding framework is important to improve potency and selectivity of covalent binders toward the desired...
Kaydedildi:
| Yayımlandı: | ChemMedChem |
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| Asıl Yazarlar: | , , , , , , , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
John Wiley and Sons Inc.
2019
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| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6593427/ https://ncbi.nlm.nih.gov/pubmed/30786178 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201900078 |
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