Karabencheva-Christova Lab

Karabencheva-Christova Lab

Karabencheva-Christova Lab

Unlocking the Secrets of Metalloenzymes

Exploring the World of Biological Catalysts through Computational Studies

Our Research in Depth

The research in our group focuses on computational studies of metalloenzymes. More than 30% of all human enzymes with essential physiological activity require metal ions. Metalloenzymes play universal functions, making them central in many human diseases and critical therapeutic targets in developing inhibitors and drugs. We provide novel insights into metalloenzymes catalytic strategy by employing hybrid quantum mechanics/molecular mechanics (QM/MM) methods and molecular dynamics (MD) simulations.

Research and Media Highlights

Stay Connected

Out in @ The Journal of Physical Chemistry B with a supplementary cover!

We used QM/MM to reveal the catalytic mechanism of collagen THP cleavage in Matrix Metalloproteinase-1!

@ACS4Authors #MyACSCover #compchem

We are glad to share that @tatyanak_lab recent publication in ChemCatalysis, "Revealing the catalytic strategy of FTO," has been previewed by Prof. Wei-chen Chang et al., Dept of Chemistry, North Carolina State University, Raleigh, NC, USA. Check it out  .

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