Learning

Applying Molecular Docking for Drug Discovery

Molecular Recognition Principles → Application in Virtual Screening and Lead Optimization

This path equips pharmaceutical researchers with the knowledge and skills to apply molecular docking in drug discovery. It covers the foundational concepts of molecular recognition, protein and ligand preparation, docking algorithms, scoring functions, pose prediction, binding energy estimation, and benchmarking. Learners will gain practical proficiency in setting up, running, and evaluating docking studies for virtual screening and lead optimization.