Acquisition of a 64-Processor 64-Bit Parallel Computer Cluster

University Of The Sciences In Philadelphia, Philadelphia PA

Investigators

Abstract

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.