Headline

AI Drug Discovery Scientist | Computational Chemist | AI-Guided Drug Design (AlphaFold, Boltz-2, DiffDock) | MD/QSAR/ADMET | Medicinal Chemist | Ph.D. | FRSC

About

Computational chemist bridging AI-guided structure prediction and classical drug discovery. As Principal Investigator, I took a carbonic anhydrase IX/XII inhibitor program from ligand-based pharmacophore modeling through molecular dynamics to a patent-protected chemical series — closing the loop from computation to experimental validation (analogue synthesis, zebrafish, and rodent pharmacology). Core strengths • Structure prediction & generative design: AlphaFold2/3, Boltz-2, DiffDock • Classical MD/QSAR/ADMET: GROMACS, AMBER, NAMD, OpenMM, on HPC (Taiwania 3, NARLabs Taiwan) • ML/AI: PyTorch, TensorFlow, GNNs, cheminformatics (RDKit) • Currently benchmarking chemistry/biology reasoning in frontier LLMs (including Claude Opus 4.8) as a Domain Expert at Turing Inc. 26 peer-reviewed papers, ~600 citations, H-index 15, and 1 filed patent within four years of starting my PhD. Associate Member, Royal Society of Chemistry.

Location

Tamil Nadu

Work experience

AI Drug Discovery Scientist at Lantern Pharma Inc. (Nasdaq: LTRN), Aug 2026 - Present · 3 mos, Dallas, TX, Working on the development and integration of AI/ML and computational chemistry modules within the withZeta medicinal chemistry platform, enabling advanced molecular analysis, design, and drug discovery workflows.

Domain Expert — Chemistry & Biology, LLM Scientific Reasoning at Turing, Nov 2025 - Jul 2026 · 9 mos, United States, Design and benchmark chemistry/biology reasoning test cases for frontier language models, including Claude Opus 4.8. Translate PhD-level computational chemistry expertise into structured evaluation frameworks used in AI model training and assessment.

International Fellow at National Applied Research Laboratories, NARLabs, Feb 2023 - Nov 2023 · 10 mos, Hsinchu City, Awarded a fellowship of NTD 184,000 to develop machine learning algorithms for small-molecule drug discovery, with hands-on experience on the Taiwania 3 HPC cluster.

Research Scholar at SRM Institute of Science and Technology (SRMIST), Jul 2022 - Oct 2025 · 3 yrs 4 mos, Chennai, Conceived, funded, and led as Principal Investigator a selective carbonic anhydrase IX/XII inhibitor discovery program — from ligand-based pharmacophore modeling through molecular dynamics to a filed patent • Secured ₹220,000 intramural research grant as PI for "Validating AI-Based De Novo Design and Docking Approaches Against Carbonic Anhydrase" • Built integrated computational pipelines (pharmacophore modeling, docking, DFT, MD, QSAR/ADMET) validated against wet-lab synthesis and in vivo pharmacology • Co-authored 26 peer-reviewed papers (~600 citations, H-index 15) across carbonic anhydrase, kinase, and antimicrobial drug-design targets

Quality Assurance Tester at Applause, Jan 2021 - Mar 2023 · 2 yrs 3 mos, United States, • To successfully deliver multiple global projects on various industries including Retail, Gaming, Betting, Fitness, Entertainment and to perform usability testing on Smart watches, new software features / updates on latest smart televisions. • To perform exploratory , cross browser, accessibility testing on websites for UI/ payment gateway / secured card payout and to execute test cases, report test results with data/evidence and raise defects as per each client’s standards and provid video / screenshot /log evidence.

Education

Master of medical biotechnologies, Biomathematics, Bioinformatics, and Computational Biology, Università degli Studi del Piemonte Orientale

Doctor of Philosophy - PhD, Biomathematics, Bioinformatics, and Computational Biology, SRM Institute of Science and Technology (SRMIST)