Molecular Docking and Protein Simulations Course

This two-day workshop will be conducted by eminent experts in Biomolecular Modeling and Simulations. They will guide participants through fundamental of biomolecular modeling and docking to data analysis. Participants will get hands-on training from system preparation to data analysis.

At the end of this workshop, participants should be able to :

• Understand the fundamentals of Biomolecular Modelling techniques
• Setup and perform Molecular Dynamics simulation of protein using GROMACS
• Perform trajectory processing using GROMACS utility
• Perform trajectory analysis using VMD Software
• Prepare protein and ligand for molecular docking
• Perform virtual screening using Autodock Vina
• Analysis of protein-ligand interactions
• Generate high quality images for publication using VMD, PyMol and Discovery Studio Visualizer