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Welcome to the computational research lab of Dr. Christo Z. Christov!

 

We apply Combined Quantum Mechanical and Molecular Mechanical (QM/MM) and Molecular Dynamics Methods to investigate the Catalytic Mechanisms of None-Heme Fe(II)- and 2-Oxoglutarate (2OG)-Dependent Enzymes such as:

i) Histone Lysine Demethylases 

ii) Ethylene-Forming Enzyme

iii) DNA Demethylases and Hydroxylases