University of South Florida · ChemistryThe Quantum Enzyme Lab
Henry Lee Woodcock Iii · Tampa, Florida
Research Focus
Dr. Henry Lee Woodcock III's lab at the University of South Florida focuses on developing advanced computational methods to study biomolecular systems. By creating new techniques for hybrid quantum mechanical/molecular mechanical (QM/MM) simulations, the lab aims to solve complex biochemistry problems related to drug targets in pathogenic bacteria and strategies to combat antimicrobial resistance. This research is crucial for understanding how enzymes work and for developing new treatments for diseases.
QM/MM simulationsbiomolecular systemsenzyme catalysisantimicrobial resistancefree energy calculations
Research Aims
5AIM 01Develop robust techniques for QM/MM free energy simulations.
AIM 02Apply methods to study enzyme catalysis in DXPS.
AIM 03Investigate binding mechanisms for serine β-lactamases.
AIM 04Address challenges in conformational sampling during simulations.
AIM 05Use method development to improve drug targeting strategies.
Skills the Lab Values
quantum mechanical simulationsmolecular dynamicscomputational chemistrybiochemical reaction modelingdata analysis in scientific computing