Online course in Molecular Modeling and Drug Desgining

The course is usually of 45 days duration and includes practicals on these topics. The duration may extend another 10 days depending on my availability everyday at the same time. I am making a summary of all the topics which I cover during the course.

The major topics include basics of Molecular modelling like Molecular mechanics, Quantam mechanics, Molecular dynamics simulations Monte carlo methods Ab initio, DFT and MM+ calculations and their applications.( Using Hyperchem software usually)

Protein homology modelling (using spdbv, MOE and Modeller softwares), Structure based drug designing (Virtual screeing and Molecular docking using MOE, GOLD and Autodock Tools), Ligand based drug designing (QSAR and Pharmacophore modelling), Searching chemical databases, 3D Pharmacophore generation Molecular Similarity and Diversity