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Protein Binding Pocket Optimization for Virtual High-Throughput Screening (vHTS) Drug Discovery

[Image: see text] The virtual high-throughput screening (vHTS) approach has been widely used for large database screening to identify potential lead compounds for drug discovery. Due to its high computational demands, docking that allows receptor flexibility has been a challenging problem for virtua...

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Detalles Bibliográficos
Autores principales:	Gazgalis, Dimitris, Zaka, Mehreen, Abbasi, Bilal Haider, Logothetis, Diomedes E., Mezei, Mihaly, Cui, Meng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7315428/ https://www.ncbi.nlm.nih.gov/pubmed/32596567 http://dx.doi.org/10.1021/acsomega.0c00522

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