In silico ADMET permeability analysis of quercetin and its circulating human metabolites comparing intestinal absorption and passive permeation potential of the aglycone vs its glucuronide, sulfate, and glucoside conjugates (RDKit + SwissADME). Supporting analysis for our quercetin human trial.
Molecular docking and phytochemical screening of Acalypha indica bioactive compounds against cervical cancer target proteins | AutoDock Vina | ADME | GC-MS
Django-based platform for Multiple Myeloma research combining drug discovery tools, PKPD simulation, digital patient twins, and clinical decision support
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