Overview

Center for AI in Medicine, Imaging & Forensics (CAIMIF), Sharda University is proud to present a 5-Day Certified FDP/ Workshop on Training on Protein-Ligand Molecular Dynamics (MD) Simulation using High-Performance Computing, offering participants an opportunity to work hands-on with NVIDIA DGX GPU infrastructure — one of the most powerful platforms available for biomedical computing.

This training is tailored for students, researchers, and professionals in computational biology, bioinformatics, pharmacology, and related fields who wish to build real-world expertise in: 

• Setting up and running MD simulations using GROMACS 2023+
• Ligand parameterization and protein-ligand complex preparation
• Trajectory analysis and molecular visualization (VMD & PyMOL)
• GPU-accelerated simulations on NVIDIA DGX systems

Training Schedule:

• Days: 14 – 18 April 2026 (Pre-installation + Training)
• Timings: 10:00 AM – 4:30 PM 
• Venue: Room No. 103 A/B, Block 2, 1st Floor, CAIMIF, Sharda University

Registration Link: https://docs.google.com/forms/d/e/1FAIpQLSeqOjROzW68GwYfdjOQ-ktKYpTeMS9WbsHmT6SBmg_ROr28zQ/viewform

(Payment QR code in brochure)

Workshop_MD_GROMACS-1.pdf

Objectives of Event

• Introduction to the Linux-based computational environment for molecular simulations.
• Hands-on training in biomolecular system preparation and MD simulations using GROMACS.
• Learning ligand parameterization and protein–ligand complex simulation workflows.
• Performing trajectory analysis, visualization, and GPU-accelerated HPC simulations.

Convener Details

• Prof. Ashok Kumar, ashok.kumar6@sharda.ac.in

Co-ordinators:

• Dr. Sunita Sharma, 9884429021, sunita.sharma@sharda.ac.in

Speaker Details:

• Dr. Sunita Sharma, Prof. Ashok Kumar