Molecular Docking Research Project
Research mentor: Dr. Lokender Kumar
4.0
Run a structure-based docking study with PyMOL and AutoDock Vina. You prepare the receptor and ligands, dock and score them, and finish with ranked poses and an interaction analysis you can defend.
Explore free modules at no cost to see if this research project matches your learning goals.
Project 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.