Molecular Docking and Analysis

"Molecular Docking and Analysis" is a course designed for individuals who have a basic understanding of molecular biology and are interested in learning about the computational techniques used to predict the interactions between molecules. This course covers the following: 1. Docking Input Data - PDB Database and protein file explanation - Visualize protein PDB file in PyMol - Ligand File Format Description 2. Docking File Preparation - Hydrogen addition to protein - Charge addition to protein file - Types of Residues and property - Determination of the protonation state of the ligand - Ligand preparation 3. Docking Process - Identify Binding Pocket - Grid Design - Perform Docking using AutoDock 4. Docking Interpretation - Binding Energy Analysis - Protein-Ligand Interactions - Type of Interactions using LigPlot - Final Conclusion from Docking Throughout the course, students will work with real-world examples and practical exercises to reinforce their understanding of the concepts covered. By the end of the course, students will have a solid foundation in molecular docking and analysis and will be able to apply their skills to their own projects and analysis tasks.