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.• Characterized Ebola virus protein-protein and protein-nucleic acid interactions to promote drug discovery initiatives as part of a multi-investigator team.• Mentored graduate students and laboratory technicians as the wet lab manager. • Interacted with external labs providing in silico docking and computational expertise.

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