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Determination of Ligand Binding Modes in Hydrated Viral Ion Channels to Foster Drug Design and Repositioning

[Image: see text] Target-based design and repositioning are mainstream strategies of drug discovery. Numerous drug design and repositioning projects have been launched to fight the ongoing COVID-19 pandemic. The resulting drug candidates have often failed due to the misprediction of their target-bou...

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Detalles Bibliográficos
Autores principales: Zsidó, Balázs Zoltán, Börzsei, Rita, Szél, Viktor, Hetényi, Csaba
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389532/
https://www.ncbi.nlm.nih.gov/pubmed/34313421
http://dx.doi.org/10.1021/acs.jcim.1c00488