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Our research focuses on applying computational and theoretical methods to understand and quantitatively predict fundamental biological processes such as protein-ligand binding, solvation, and solubility. We seek to provide an atomically detailed understanding of these processes at a level of accuracy that can be useful in industrial applications.

We are also involved in a variety of collaborative and community efforts including:

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The Open Force Field Initiative


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The SAMPL Challenges


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The Open Free Energy project


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The Open Molecular Software Foundation