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