Molecular Docking for Drug Discovery
Course by: Dr. Lokender Kumar
4.0
A premier bioinformatics course for UG/PG/PhD students to master drug discovery (performance and analysis) using PyMOL and AutoDock Vina.
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Course objectives
Docking Fundamentals
Gain a foundational understanding of molecular docking principles and the structure-based drug discovery workflow. Learn to select and install essential software tools for in silico analysis.
Ligand & Receptor Preparation
Master the retrieval and refinement of protein and ligand structures for docking. Learn techniques for structural cleanup, hydrogen addition, and energy minimization.
Docking Execution Skills
Develop hands-on expertise in converting files, designing grid boxes, and configuring docking runs. Perform both focused and blind docking using AutoDock Vina.
Result Interpretation & Reporting
Visualize molecular interactions, evaluate docking scores, and extract key findings. Generate publication-quality images and compile structured research reports.