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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...

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Detalles Bibliográficos
Autores principales:	Rachman, Moira, Scarpino, Andrea, Bajusz, Dávid, Pálfy, Gyula, Vida, István, Perczel, András, Barril, Xavier, Keserű, György M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2019
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6593427/ https://www.ncbi.nlm.nih.gov/pubmed/30786178 http://dx.doi.org/10.1002/cmdc.201900078

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