A computational biochemist focused on drug discovery and molecular simulations

Explore my research, projects, and collaborations

Why Computational?

Unifies chemistry and biology, providing a molecular-level view of physical systems.
Deploys predictive simulations (MD, QM/MM, AI) to model complex molecular dynamics that are otherwise unobservable.
Transcends experimental boundaries, overcoming limitations in timescale, cost, and physical accessibility.
Drives research by generating testable hypotheses, enabling rational design, and providing deep mechanistic insight.

Home: Headliner

My Research Journey

As a computational biochemist, my research focuses on molecular interactions, protein structures, and drug design.

I apply virtual screening, molecular docking, and dynamics simulations to identify and analyze potential drug candidates.

I’ve contributed to building a curated database of Indian medicinal plant phytochemicals and validated potential inhibitors through literature review.

I also assist collaborators on projects involving computer-aided drug design and protein aggregation studies.

Skills and Expertise

Technical Skills

Tools and Technologies

Subject matter expertise

Bash Scripting
Python
Machine Learning
Artificial Intelligence

AMBER
GROMACS
Autodock Vina
VMD
PyMol
Avogadro

Molecular Modelling and Simulations
Cheminformatics
Material Characterization
Applied Spectroscopy
Lab on synthesis
Instrumentation Laboratory