Academic Catalog 2022–2023

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BIF455 Computational Drug Design

[3–0, 3 cr.]

This course explains the process of drug discovery and development through specific examples of case studies to better understand the issues facing the challenges of delivering a new drug on the market and the contributions of computational methodologies in the field. It covers the state-of-the art methods and computational techniques nowadays applied in computational chemistry and computer-assisted drug design. It presents approaches for both ligand and target discovery such as pharmacophore modeling, QSAR, structure-based drug design (docking and scoring), combinatorial chemistry, high throughput virtual screening (HTVS) and ADMET property prediction.