Rupesh Agarwal

Rupesh Agarwal

Graduate Research Assistant

Bio

I am a graduate student working with Dr. Jeremy C. Smith at the Center for Molecular Biophysics in Oak Ridge National Laboratory. I am working on variety of projects which range from in-silico drug discovery to computer-aided vaccine design and from understanding the importance of global and local dynamics in multi-domain proteins to developing new strategies for force field parameterization of small molecules.

For more details: https://www.linkedin.com/in/rupeshag

Projects

> Discovery of competitive and allosteric inhibitors using virtual screening strategies
> Development of novel algorithms to identify allosteric sites and pathways in proteins
> Understanding the importance of global and local dynamics in multi-domain proteins
> Computer-aided vaccine design
> Molecular mechanism of mechanostability in adhesin proteins
> CHARMM force field optimization for small molecules

Contact Information