 |
 |
 |
 |
 |
 |
|
| UNC-CH Collaborators |
| Darrel Stafford |
| Mac Monroe |
| Lalith Perera |
| Jian Liu |
| Lee G. Pedersen | |||||||||
| M. A. Smith Professor of Chemistry | |||||||||
lee_pedersen@unc.edu |
|||||||||
| Research Interests | |||||||||
| Theoretical and Computational Chemistry | |||||||||
| Professional Background | |||||||||
| Harvard (NIH Fellow), Columbia (NSF Fellow), U. Arkansas Ph.D. (1965). Since 1985, I have spent much time at NIEHS, a NIH research lab in RTP, collaborating with groups there on cancer, HIV, Alzheimer's disease and general structural questions that can be approximately answered using theoretical methods. | |||||||||
| Research Synopsis | |||||||||
We focus on using theoretical techniques to model vitamin K-dependent (VKD) proteins. Our NIH funding is based on this. Blood coagulation broadly involves major disease states such as heart disease and hemophilia. What do we do? We use data from structural studies [x-ray, nmr, etc] to build complete structures of the essential coagulation proteins in their precursor and active forms. The tools we use are molecular dynamics simulation of solvated models, quantum mechanics to determine appropriate molecular parameters for the force fields and homology modeling techniques to estimate 3D models from known structural data. While efforts until now have focused on individual VKD proteins, we hope to build complexes of proteins on model phospholipid surfaces so as to ultimately understand the rules for functionality and specficity in this critical system. Other
areas of interest: using theoretical techniques to build structures
of sulfotransferases, cytochrome P450s, HIV-Reverse transcriptase
and amyloid proteins; using mathematical and statistical techniques
to analyze DNA microarray data, quantum effects in reactivity.
|
|||||||||
Department of Chemistry
|
Last Updated:
October 8, 2007
© 2006 University of North Carolina at Chapel Hill Content Manager: chemcontent@unc.edu |