Research Interests: Computational
Bioinorganic Chemistry
Computational Modeling of Bioinorganic Chemistry:
From Biomimetic Models to Active-Site Models to the
Metalloenzyme
The principal goal of the research involves the
application of computational chemistry methods to study the catalytic chemistry
of metalloenzymes and related biomimetic systems. Pertinent methodologies will also be
examined and be subject to optimization.
Three major projects are proposed: (1) metal-binding specificity in and metal transfer
from copper chaperone proteins; (2) dependence of the catalytic activity of peptide
deformylase and biomimetic models thereof on the identity of the metal center; (3) methodologies
for computing accurate vibrational frequencies in transition metal-dioxygen
adducts.
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 (Sequoia 416C)
if you are interested.
Project
#1: Copper Chaperones.
Project
#2: Peptide Deformylase.
Project #3. Vibrational frequencies in transition metal –
dioxygen adducts.
Last revised: