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Rupesh Agarwal
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Rupesh Agarwal

Graduate Research Assistant

UT-ORNL-Genome Science and Technology

Oak Ridge National Laboratory
P.O. Box 2008
1 Bethel Valley Road
Building 2040, E-352
Oak Ridge , TN 37831


  1. B.Tech in Biotechnology



I am working on discovery of novel inhibitors for Histone Deacetylase 4. I use methods like ensemble-based virtual screening (to identify new potential drug molecules), classical and/or accelerated molecular dynamics, thermodynamic integration, CHARMM force field optimization for small molecules.