RESEARCH OVERVIEW

We are interested in computational modeling of complex molecular processes using molecular dynamics (MD) simulations. To achieve our goal, we focus on developing and employing novel computational methods to extend the timescales of MD simulations.  Another direction in our lab is to integrate simulations and experiments to characterize new materials and to study the complex biomolecular machinery. Using experiments such as Cryo-EM, SAXS, and NMR our lab is developing computational tools and methods to guide MD simulations toward the direction where it meets experimental data, providing accurate description of physical processes and allowing atomic level visualization of experiments. 

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