Ananya Thakur
I am a second-year master’s student at the Faculty of Biochemistry and Molecular Medicine, deeply fascinated by the chemical foundations of life—specifically, the meticulous interactions between molecules that drive life-sustaining reactions.
The study of molecules at an atomic level is rooted in the principles of quantum mechanics. Using quantum mechanical simulation techniques, I can “see” and explore the behavior of molecules and their reaction mechanisms.
Through my research, I aim to uncover how quantum mechanics can deepen our understanding of the molecular processes that underlie life itself.
Currently, my thesis employs Quantum Mechanical/Molecular Mechanical (QM/MM) techniques to investigate the reaction mechanisms of an enzyme catalyzed reaction.
Research interests
- QM/MM simulation
- Enzyme catalysis
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