Postdoctoral Researcher

• Aug 2022 - Present

Research Associate (Computational and Synthetic Chemist)

• Nov 2017 - Aug 2022

I work on the structure-based virtual screening of a large dataset of small molecules from databases like ZINC, PubChem, etc., on the three-dimensional protein or biological target structures. This has helped to give me a sound interdisciplinary link and background in Biology, Computer Science, and Chemistry. I also carry out the molecular docking studies of small molecules in the binding site of protein targets, to determine their binding affinities. For the molecular docking studies, I comfortably use Schrodinger Suites and AutoDock software. Also, I carry out molecular dynamics simulation of small molecules in a docking model to validate the stability of the molecule with respect to time in the model. I have worked on both potential antimicrobial and antimalarial structure-based drug design. A set of potential antimalarial drugs we designed are already being prepared for pre-clinical screening. Furthermore, I work as a synthetic chemist, synthesizing structure-based compounds and characterizing them using an Infrared spectrophotometer, Mass spectrophotometer, and Nuclear Magnetic Resonance (NMR) spectrometer; both proton and carbon-13 NMR.Highlights include:- Impact through the application of computational chemistry approaches (e.g. structure-based design, homology modeling, molecular dynamics simulation)- Deep technical expertise with commonly used computational chemistry tools and methods (e.g. Schrödinger, AutoDock, NAMD-VMD) Show less

Quality Control Analyst (Industrial Trainee)

• Mar 2012 - Aug 2012

**Conduct tests to determine quality of raw materials, bulk intermediate and finished products. **Ensure that lab cleanliness and safety standards are maintained. **Ensure that all tests are performed according to established item specifications, standard test methods, or protocols. **Calibrate, validate, or maintain laboratory equipment. **Conduct routine and non-routine analyses of in-process materials, raw materials, environmental samples, finished goods, or stability samples. Achievements **Fostered a weekly seminar for Industrial Trainees that helped us understand better the processes of the brewery. Show less