Thomas Frederick Email & Phone Number

North Chicago, Illinois

North Chicago, Illinois

Fragment based drug discovery.SAR by NMR.

St. Louis, MO

• Advisor: Gregory Bowman
• Used molecular dynamics and Markov State Models to predict novel protein allosteric sites called ‘cryptic’ pockets.
• Experimentally verified predicted cryptic pockets using UV based labeling experiments.
• Used NMR relaxation to characterize the underlying dynamics of cryptic pocket formation.
• Applied molecular modeling methods (e.g. in silico Boltzmann docking) to identify potential small molecule modulators of protein activity, specifically targeting allosteric sites.
• Screened small molecules identified by in silico docking using NMR and plate-based assays.

Notre Dame, IN

• Advisor: Jeffrey W. Peng
• Used NMR methods including spectral density mapping and paramagnetic relaxation enhancement to understand the signal transduction process in the signaling protein BlaR1.
• Performed resonance assignments of protein-ligand complexes and relevant protein variants.
• Developed ligand-detected NMR pulse sequences to characterize the bound pose and dynamics of a small molecule covalently bound to a protein active site.
• Implemented pulse sequences for use on Notre Dame’s Bruker NMR spectrometers.

Gainesville, FL

• Advisor: Gail E. Fanucci
• Characterized the membrane morphology and side-chain dynamics of an unusual phospholipid, bis(monoacylglycero)phosphate, involved in endosome maturation.
• Employed multiple spectroscopic techniques including solid-state NMR, electron paramagnetic resonance, fluorescence, dynamic light scattering, and electron microscopy.

Doctor Of Philosophy (Ph.D.), Chemistry

Activities and Societies: Chemistry Graduate Student Union, Cycling Team

Bachelor Of Science (B.S.), Chemistry