Computational Drug Design

Computational drug design involves using computational techniques and simulations to discover, design, and optimize new drug candidates. It integrates various disciplines such as chemistry, biology, and computer science to predict how potential drugs interact with biological targets, speeding up the drug discovery process and reducing costs compared to traditional methods.

Modules include

1.) Molecular graphics for drug discovery
2.) Molecular modelling (small molecule and protein modelling)
3.) Ligand docking simulation
4.) Protein-protein interaction modeling
5.) Molecular dynamics simulation
6.) Introduction to Linux (Ubuntu) OS
7.) Programming and script development for drug design
8.) Advanced molecular dynamics: Force field parameterization
9.) Advanced molecular dynamics: Trajectory analysis
10.) Advanced molecular dynamics: Coarse grained MD
11.) Developing manuscripts and articles
12.) Cheminformatics in Drug Design