GPU based Computational Drug Discovery & Molecular Docking Analysis

Computational Drug Discovery and Molecular Docking Analysis 

1.    Molecular Docking of selected Drug target and Ligand

• Identification of potential Drug Target 

• Active sight prediction / Inhibitor Binding sight prediction 

• Selection of Ligands / Inhibitors 

• ADME prediction for selected Ligands 

• 2D and 3D Interaction Plots, Binding Energy 

2.     Post Docking Analysis

• MMG-GBSA

• Molecular Dynamic Simulation using Desmond / GROMACS

3.     Protein Protein Docking

4.     Interpretation of results

5.     Dataset curation / validation etc.

Those who wanted to make use of this facility, please fill in this Google form 

https://forms.gle/wZMBYDJ8FTK3y7zB8