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the Mertz Group

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Research in the Mertz group uses computational methods to study membrane proteins, with an emphasis on: 1) biophysical interactions between rhodopsin and the cell membrane; 2) design of membrane scaffolds for bacterial proton pumps; and 3) drug development for the melanocortin receptor. The underlying theme of our research is to provide more detailed understanding and predictive capabilities of systems of interest to researchers in both medicine and alternative energy. KMM-traj

rhodopsin






Biophysical properties of rhodopsin activation: Rhodopsin is the visual photoreceptor that facilitates night vision. A detailed understanding of this process remains elusive. Our lab is using a combination of all-atom and coarse-grained molecular dynamics, as well as protein-protein and protein-ligand docking, to understand the various steps in the photocycle. These insights will help us treat disorders such as retinitis pigmentosa.










Bacterial proton pumps and alternative energy:
Proteorhodopsin (PR) is a recently discovered membrane protein that acts as the light-activated proton pump which drives chemical energy synthesis in many marine bacteria. Our lab is focused on a fundamental understanding of this process by simulating PR on the molecular level using molecular dynamics, as well as investigating the potential for using PR arrays in alternative energy devices such as photovoltaics.

pr

mc3r








Drug development of GPCRs
:
G protein-coupled receptors (GPCRs) represent almost half of current pharmaceutical targets. The melanocortin receptor has been linked to several important physiological processes, including obesity, pigmentation, sexual function, analgesia, and inflammation. We are currently developing selective agonists for the MC3 and MC4 receptors through protein-ligand docking studies.


Chemistry Research Laboratory Room 463
The C. Eugene Bennett Department of Chemistry
West Virginia University
Morgantown, WV 26506