About the Colloquium:

Title:

NMR Crystallography: An Atomic-Resolution Probe of Structure and Mechanism in the Molecular Sciences

About the Speaker:

Bio:

B.S., 1988, University of Rochester

C.P.G.S., 1989, University of Cambridge

Ph.D., 1997, Caltech

ACS Postdoctoral Fellow, 1996-98, MIT

Research Interests:

The Mueller group is pioneering the development and application of NMR crystallography – the synergistic combination of solid-state NMR, X-ray crystallography, and computational chemistry – to enzyme active sites, where it provides atomic-resolution characterization of stable intermediates as well as species near transitions states. Enabling this is the ability to measure active-site isotropic and anisotropic NMR chemical shifts under conditions of active catalysis, and the development of fully quantum mechanical computational models of the enzyme active site that allow the accurate prediction of NMR spectral parameters.