5 - Days Online Workshop on Computer aided Molecular Modeling and Drug Discovery

Discovery of new potential compounds is an important area of pharmaceutical research to develop efficient drug against various infection and diseases. In the area of medicine research, computational drug discovery (CADD) is an effective strategy for accelerating and economizing drug discovery and development process. The course of the workshop has been designed to provide an introduction and hands-on exposure to the application of popular molecular modeling techniques in drug discovery. The student/researchers will understand not only the basic concepts but also will attain the working proficiency on CADD tools.

Course highlights

Introduction to Drug Discovery

Protein database & Structure Modeling

Virtual Screening of small molecules

Generating Protein-ligand complexes by Molecular Docking

Molecular Interaction Analysis

Introduction of Molecular Dynamics simulation

Protein-ligand Complex Preprocessing

System Building for protein-ligand Complex

Energy Minimization of Whole System

Molecular Dynamics Simulation of Whole System for a Fixed Period of Time

Results Analysis

Programme details

Duration of training : 5 Days (15th June - 19th June 2021)

Timings : 03:00 PM - 05:00 PM

Commencement of registration : 15th May, 2021

Eligibility criteria : Students, Researchers, Faculties and Industry professionals.

Fee : Rs.3500/- (Including GST)

Last date of registration : 14th June, 2021


Dr. Vivek Dhar Dwivedi (Scientist, Pathfinder Research and Training Foundation)

Dr. Shiv Bharadwaj (International Research Professor Yeungnam University, Republic of Korea)


Participants successfully completing the training program will be provided with E-certificate.


The entire training will be online and shall have following prerequisites:

  • Participants must have access to the laptop/desktop with stable internet connection.
  • Participants must possess a google account (xxxx@gmail.com).
  • Linux operating system will be required for MD simulation and analysis