Thiliban Manivarma

Computational Chemist and Ml Ai Specialist @Aurigene Pharmaceutical Services Limited

Bengaluru, IN

As a Specialist in CADD & Informatics at Aurigene Pharmaceutical Services Limited (Dr. Reddy\'s laboratories subsidiary), I contribute to early-stage drug discovery by applying structure-based and ligand-based design strategies. My role involves molecular docking, pharmacophore modeling, molecular dynamics simulations and free energy calculations (ABFE, RBFE, MM-GBSA/PBSA) to optimize lead compounds. I integrate machine learning and AI-based models for ADMET prediction, virtual screening, and molecular property optimization, enhancing the efficiency of hit-to-lead workflows. In collaboration with medicinal chemists and biologists, I help prioritize compounds using data-driven insights and predictive modeling.

Nicolaus Copernicus University

Doctor of Philosophy - PhD

Anna University, Chennai

Master of Technology - MTech

Anna University, Chennai

Bachelor of Technology - BTech