Chemistry

Professor Kenneth Marx, Ph.D.

Dr. Marx's academic research focuses on the following topics: 1) applying visualization and data mining techniques to molecular biological gene expression and biochemical and chemical array databases; 2) bioinformatics tool development and investigations of repetitive sequence usage in different eukaryotic DNAs and their relationship to chromatin structure; 3) developing DNA melting simulation as a bioinformatics tool; 4) applying information theory concepts to statistical properties of DNA and protein sequences. Some of this research is being carried out in collaboration with Professor Georges Grinstein from the Computer Science Department.

Professor Melisenda J. McDonald, Ph.D.

Dr. McDonald's research involves hemolgobin structure, function and assembly. A multisubunit protein, Hemoglobin's biological function depends on incorporation of heme cofactors during assembly; this postranslational event is a focus in her current research efforts. In collaboration with Dr. Karen Daniels, of the Computer Science Department, Dr. McDonald plans to use molecular modeling, molecular dynamic simulations and applied computational geometry approaches to structurally analyze the subunits of hemoglobin and provide snapshots of the heme-binding event. Dr. McDonald is also working with Dr. Kajal Claypool from Computer Science on development of a query interface which would allow protein chemists to readily access information from the wide array of protein sequence and structural databases now available.

Assistant Professor Valeri Barsegov, Ph.D.

Dr. Barsegov's academic research focuses on the following topics: 1) Molecular Dynamics and Langevin Simulations and Theory of forced unfolding of proteins and forced unzipping or RNA forced rupture of protein-protein complexes and aggregates; 2) Development of Novel Statistical Data Analysis for Single Molecule Experiments on Biomolecules: order statistics approach to forced unfolding of polyproteins and protein tandems; force correlation spectroscopy (FCS) for protein forced unfolding and unbinding; combined force-IR spectroscopy for the global transitions in proteins.  3) Theory and Simulations of Leukocyte Rolling on Vascular Surfaces:Molecular Dynamics and Langevin simulations of forced rupture of cell adhesion complexes hydrodynamics coupled Monte Carlo simulations of leukocyte rolling on vascular surfaces.