The University of Texas at Dallas
Our research is focused on the development of computational methods and their application to study chemical and biochemical systems. Three main research directions in our lab are the investigation of enzymatic reaction mechanisms using MD and hybrid ab initio QM/MM methods. The second focus is on the discovery and characterization of cancer biomarkers. The third focus is on the development of new software for polarizable ab initio QM/MM and classical simulations.
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