Workshop details
OriGene Biosolutions is a premier life science research and training organization dedicated to advancing bioinformatics and data analysis. Tailored solutions for your bioinformatics needs.
3-Day Workshop on Molecular Docking and Analysis
About the Workshop
Learn the fundamental concepts and practical skills of molecular docking, from preparing protein and ligand structures to running docking simulations and analyzing results.
Who Can Join
Students, researchers, and professionals in bioinformatics, medicinal chemistry, and pharmaceutical sciences.
Prerequisites
Basic knowledge of molecular biology and chemistry. Familiarity with computational tools is helpful but not mandatory.
Day 1: Introduction to Molecular Docking and Preparation of Structures
- Overview of molecular docking and its role in drug discovery
- Protein and ligand structure preparation (removing water, adding hydrogens)
- Tools: AutoDock, AutoDock Vina, PyMOL
- Setting up docking parameters and grid boxes
- Running docking simulations using AutoDock Vina
- Analyzing binding poses, binding energies, and interactions
- Visualization using PyMOL and Discovery Studio Visualizer
- Interpreting results for drug design decisions