Cytochrome P450 Enzyme Inhibition Modeling

Cheminformatics › Metabolism-Based Drug-Drug Interaction Prediction

Cytochrome P450 Enzyme Inhibition Modeling

Interns will develop and validate computational models to predict how drug molecules inhibit major CYP450 enzymes (CYP3A4, CYP2D6, CYP2C9). They will work with molecular docking simulations, QSAR models, and public databases to identify structural features responsible for enzyme inhibition and create predictive tools for DDI assessment.

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