Introduction
This proposal is to establish a state-of-the-art computational drug design laboratory that leverages advanced artificial intelligence techniques to expedite the drug discovery process.
The physical infrastructure will include:
- High-Performance Computing Cluster (HPCC): A dedicated server equipped with advanced GPUs and CPUs to handle computationally intense calculations such as high throughput virtual screening, DFT calculations and molecular dynamics simulations.
- Modular work benches with false ceiling, electric fittings, aluminium & glass partitioning and furnishing with power back-up & AC.
- Software: Installation of specialized software for molecular modeling, docking, and simulation such as Schrödinger, MOE, GROMACS, and AutoDock, Material studio etc.
Upgradation of the CADD Lab
Estimated Timeline for the Project
2 Years
Expected Impact
The establishment of this laboratory is crucial for accelerating the drug discovery process, reducing costs, and improving success rates. By integrating AI into computational drug design, we expect to identify potential drug candidates more efficiently, leading to faster development of treatments for various diseases. This facility can cater to demand of industry as well where the industrial problems can be solved as consultancy projects.
