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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Bibliografiset tiedot
Julkaisussa:ACS Omega
Päätekijät: Gazgalis, Dimitris, Zaka, Mehreen, Abbasi, Bilal Haider, Logothetis, Diomedes E., Mezei, Mihaly, Cui, Meng
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: American Chemical Society 2020
Linkit: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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