Browsing South African National Bioinformatics Institute (SANBI) by Subject "virtual screening"
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Computational approaches for the design of novel anticancer compounds based on pyrazolo[3,4-d]pyrimidine derivatives as trap1 inhibitor
(Switzerland: MDPI AG, 2021)In the present in-silico study, various computational techniques were applied to determine potent compounds against TRAP1 kinase. The pharmacophore hypothesis DHHRR_1 consists of important features required for activity. ...