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<< Our ultimate goal is to address problems of outstanding relevance for public health using chemical theory and computation.
To achieve this goal as a team, we develop and apply computational chemistry tools to investigate the coupling among biomolecular
structure, (thermo)dynamics, and function at diverse spatiotemporal scales.
This is crucial for understanding and predicting molecular recognition and computational drug discovery.
Special emphasis in our research is placed on the role of water and entropic effects in biomolecular association and molecular mechanisms in epigenetics.
A key component of our collaborative research is the integration of simulation and biophysical or biochemical experiments.
Our group benefits from excellent computational facilities within the Center for High Performance Computing
and the Extreme Science and Engineering Discovery Environment.
As a research group we aim at being recognized for our scientific creativity and ethics >>
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