Gherman Lab

Research Interests: Computational Bioinorganic Chemistry


Computational Modeling of Bioinorganic Chemistry:

From Biomimetic Models to Active-Site Models to the Metalloenzyme

Professor Gherman’s research focuses on the computational modeling of bioinorganic chemistry.

The principal goal of his research involves the application of computational chemistry methods to study the catalytic chemistry of metalloenzymes and related biomimetic systems.



Professor Gherman also maintains several collaborations:

v     with Professor Spence using computational methods to study cyclization reactions of enediynes and related compounds

v     examples of our work from Org Lett, J Org Chem, and J Org Chem

v     with Professor Miranda using computational methods to study the electrochemistry of and reactions catalyzed by metal-salens.

v     examples of our work from Beilstein J Org Chem and J Electrochem Soc



Group Members:

I am actively looking for undergraduate and graduate students interested in doing research in the area of computational chemistry.  Please contact me or visit my office (TSC 2009) if you are interested. 


Example Bioinorganic Project: Peptide Deformylase.

See our work in Theor Chem Acc (2011 & 2015)




Ø        Group Members

Ø        Group Pictures


Research Resources:

1) PQS information

2) UNIX information

3) EMACS information

4) Gaussian reference sheet

5) Gaussian03 manual pages

6) Gaussian09 manual pages



Last revised: June 2, 2020