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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Bibliografiske detaljer
Udgivet i:ACS Omega
Main Authors: Gazgalis, Dimitris, Zaka, Mehreen, Abbasi, Bilal Haider, Logothetis, Diomedes E., Mezei, Mihaly, Cui, Meng
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2020
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7315428/
https://ncbi.nlm.nih.gov/pubmed/32596567
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c00522
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