Chodera lab awarded NIH R01 to study role of conformational reorganization energy in selective kinase inhibition

The Chodera lab was awarded an NIH R01 research grant to study the role of conformational reorganization energy in selective kinase inhibition. Because even evolutionarily related kinase can have vastly different energetic costs to adopt inhibitor-bound conformations, these difference can be exploited to design new selective inhibitors, but only with computational approaches to elucidate hidden conformational states and their energetic penalties.

You can read more about our research on selective kinase inhibitor design, or download the entire NIH R01 proposal we submitted here.

Chodera lab awarded NSF grant to study new techniques for Bayesian forcefield parameterization

The Chodera lab has been awarded an NSF grant funding Data-Driven Discovery Science in Chemistry (D3SC) for a collaborative project with the laboratory of Michael Shirts (University of Colorado) that explores the use of advanced Bayesian methodologies for parameterization in molecular mechanics forcefields of small molecular liquids.