Expertise in computational chemistry, applications of machine learning, chemo-informatics and big data analysis to complex biological and pharmaceutical problems. Knowledge of basic and advanced programing skills in bash, R, C++, Python.
Developed novel halogen-constraint for successful docking of CYP2C9 substrates in GOLD program.
Molecular modeling expertise in a variety of platforms and software; Schrodinger, Tripose, MOE etc.
Strong background in organic and analytical chemistry: heterocyclic and carbohydrate chemistry, air/moisture sensitive reactions, cross coupling reactions and handling of sensitive boron reagents.
Experienced in handling advanced analytical instruments like NMR, FT-IR, UV-visible, HPLC-UV, GC-MS, and LC-MS,