Molecular docking is an essential tool in computer aided drug design and bioinformatics. The aim of protein-ligand docking is to predict the potent binding mode of ligand in the binding pocket of three dimensional protein structures. Precisely, the role of molecular docking study is to predict the best protein-ligand complex using insilico methods. In computer aided drug design the word “molecular docking” refers to the study of how two or more molecular structures fit together. Study of the molecular recognition at atomic level is essential to a better understanding of molecular function and biological process.
In molecular docking training course we will introduce the basics of molecular docking algorithms, scoring functions, conformational searching algorithm. Further a detailed explanation docking will be provided about various protein-ligand interactions those are essential to calculate binding energies. Docking session explained with using protein-ligand complexes. End of molecular docking course participant able to understand the theory of molecular docking and can perform the calculation of docking.
MOLECULAR DOCKING COURSE
Sketching of Chemical Molecules
✓ Protein Databases
✓ Molecule Databases
✓ Theory about Molecular Docking
o Docking Algorithms
o Scoring Functions
o Conformer Generations
o Energy Calculations
✓ Hands – on sessions on Docking
o Protein Preparation
o Ligand preparation
✓ Visualizations & Analysis of Docking results