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My research focuses on the reactions catalyzed by enzymes derived from facultative and obligatorily anaerobic bacteria. The main research effort is focused on understanding the mechanisms of catalytic reactions with the use of experimental and theoretical techniques. Nevertheless, an important aspect is applied research aimed at the enzymatic synthesis of valuable chemical compounds.
Detailed scope of research:
- Enzymatic kinetics studies with the use of spectrophotometric techniques (in the steady-state and pre-stationary state) and chromatographic techniques (GC-MS, LC and LC-MS),
- Study of the reaction mechanism using the kinetic isotope effect (KIE),
- Application of point mutations to determine the function of amino acids in the active center,
- Quantum-chemical modeling of reaction paths with the use of calculations of cluster and large-scale models (QM and QM: MM)
- Homological modeling of enzyme structures based on the known amino acid sequence and 3D structures of similar enzymes,
- Modeling enzymes using classical molecular dynamics,
- Modeling the relationship between the structure of substrates and catalytic reactivity by methods of multivariate linear regression and artificial neural networks (ANN),
- Research on the processes of inhibition and deactivation of enzymes,
- Optimization of reaction conditions in bioreactors as well as the cultivation and expression of enzymes in fermenters,
- Research on the use of immobilized enzymes in chemical synthesis
- Research on the use of whole bacterial cells in chemical synthesis