Molecular Docking

 Schedule 

Lecture: Protein structure prediction 

Homology Modelling – Introduction  Importance of Protein structure prediction 

Hands-on session: Protein structure prediction 

Homology Modelling  

• Protein structure prediction methods (Homology Modeling, Threading & Ab initio methods) 

• Selection of appropriate Target sequence 

• Selection of appropriate Template Structure 

• Selection of Appropriate Tool for Homology Modeling 

• Validation of Modeled Structure, etc

Molecular docking (Protein-ligand) by AutoDock 

• Ligand – Protein interaction  

• Organic Compound – Protein Docking 

• Metal Complex – Protein Docking 

• Site Specific Docking 

Molecular docking (Protein-ligand) by AutoDock Vina