Jobin Thomas
Senior Research Fellow (CSIR-SRF) | Computational/Theoretical Chemistry | Drug Discovery
- Role
- Llm- Scientific Coding- (Chemistry & Python) at Turing
- Location
- Vellore, TN, IN
- LinkedIn followers
- 500 followers
About Jobin Thomas
I\'m a computational chemist and drug discovery researcher with a strong interdisciplinary background in cheminformatics, molecular modeling, machine learning, and quantum chemistry. My research is focused on developing computational strategies to identify and optimize lead molecules against critical viral targets, particularly methyltransferases (NS5) of flaviviruses (e.g, dengue, Zika) and coronaviruses (e.g, SARS-CoV-2). Driven by the global need for broad-spectrum antivirals, I integrate structure-based drug design, molecular docking, molecular dynamics simulations, and free energy calculations to investigate protein–ligand interactions at the atomic level. I\'m especially interested in natural products and their derivatives as privileged scaffolds in antiviral drug development. In addition to physics-based modeling, I apply AI/ML techniques to predict molecular properties, bioactivity, and ADMET profiles. My recent work includes designing novel derivatives of a promising natural compound with dual antiviral potential and assessing their drug-likeness and synthetic feasibility using cheminformatics tools. I have keen interest in translational research and I aim to bridge the gap between in-silico discovery and experimental validation. My goal is to contribute to the development of next-generation therapeutics through predictive modeling, virtual screening, and rational drug design.*Currently working as Senior Research Fellow (SRF) under the Council of Scientific & Industrial Research (CSIR) at Centre for Nanobiotechnology, Vellore Institute of Technology, Vellore, Tamil Nadu, IN *Awarded Department of Science and Technology-ANRF International Travel Grant (Govt. of India)*Awarded Indian Council of Medical Research (ICMR) International Travel Grant (Govt. of India)*Awarded Department of Science and Technology-SERB Travel Grant (Workshop)(Govt. of India)
Experience
Llm- Scientific Coding- (Chemistry & Python)
Jan 2026 — Present
Working as an LLM- Scientific Coding-(Chemistry & Python) expert in training LLMs in the field of Chemistry.
Education
Vellore Institute of Technology
Doctor of Philosophy - PhD, Computational Chemistry
Kristu Jayanti University
Master's degree, Biotechnology
Gurudev Arts & Science College, Mathil-PO,Mathil
Bachelor's degree, Biochemistry
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