With support from the Major Research Instrumentation (MRI) Program, the Department of Chemistry and Biochemistry at the University of the Sciences in Philadelphia will acquire a 64-processor 64-bit parallel computer cluster. This equipment will enhance research in a number of areas including studies on a) the structural and dynamical properties of electrolyte solutions to better understand complex processes such as clathrate formation; b) the role of structure and conformation changes in protein-DNA complexes; c) development of ab initio based methods that will allow NMR chemical shifts to be used as sources of structural constraints; d) the binding of molecules and small peptides to unilamellar vesicles and lipid bilayers and their impact on apolipoprotein E binding behavior and atherosclerosis; and e) the development of a computer-based drug design system.
A cluster of fast, modern computer workstations is vital to serving the computing needs of active research departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-the-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing. These studies will have a significant impact in a wide number of areas, especially biochemistry and medicinal chemistry.
