I am a Bioinformatics Ph.D. researcher specializing in Computational Chemistry, Multi-Scale Molecular Design, and the integration of Machine Learning workflows for scientific discovery. My core expertise lies in building rational, end-to-end drug discovery pipelines using atom-based 3D-QSAR modeling, Quantum Mechanics/DFT, and high-performance atomistic molecular dynamics (MD) simulations to decode complex structural pathways. Throughout my research career, I have successfully developed consensus physics- and AI-based virtual screening workflows, shape-based screening protocols, and network pharmacology architectures to map host-pathogen mechanisms and optimize therapeutic leads. My doctoral research at Alagappa University focused on mechanistic structural disease modeling, specifically executing computational investigations on HIV-1 and host proteins to eradicate HIV-1 latency under the guidance of Prof. Sanjeev Kumar Singh. Backed by an M.Tech. in Computational Biology from Pondicherry University and an M.Sc. in Bioinformatics from Jamia Millia Islamia, my academic path is defined by a strong foundation in hybrid classical molecular mechanics and data-driven predictive AI. I have a proven track record of authoring peer-reviewed research papers in top-tier journals, securing competitive national fellowships (including the RUSA Senior Research Fellowship), and providing high-impact mentorship to junior scholars. I am driven to leverage my expertise in computational chemistry, Python/R programming, and machine learning to drive modern AI system development for therapeutics and lead independent research projects in structural biology.