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.

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Research and Media Highlights

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Karabencheva-Christova Lab Follow

Karabencheva-Christova's Computational Modeling of Metalloenzymes Lab, Dept. of Chemistry, Michigan Technological University.

Karabencheva-Christova Lab @tatyanak_lab ·

16 Sep

Happy to share that our recent research article was highlighted on the front cover of ChemPhysChem!
@ChemPhysChem
@WileyGlobal
Read the article here: …https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cphc.202400303#…

Link to the cover: …https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cphc.202481801…

#compchem

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Karabencheva-Christova Lab @tatyanak_lab ·

11 Sep

Welcoming Rebecca Veenstra, a new undergraduate student researcher in our group!

Rebecca is a fifth-year Chemistry major at MTU.
Welcome to the team Rebecca!

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