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High Performance Computer System for Molecular Modeling

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The aim of the present proposal is to obtain support for the acquisition of a high performance computer system (HPCS) that will enable a consortium of 10 independent investigators (COI) and their research group to carry out NIH supported and other peer-reviewed projects in various areas of Structural Biology and Biomolecular Modeling at the Weill Medical College (WMC) of Cornell University. The investigators involved represent all academic ranks, from Research Assistant Professor to Full Professor, and are affiliated to three Departments of the Graduate School of WMC (Biochemistry: Clay Bracken, David Eliezer, Sulin Jiang, Chris Lima, Benoit Roux, Hao Wu; Physiology and Biophysics: Olaf Andersen, Ernest Mehler, Harel Weinstein; Microbiology and Immunology: Diana Murray).

The scope of the biological problems addressed by the current research in Structural Biology and Biomolecular Modeling at WMC is very broad, encompassing a wide range of issues of high significance, such as, structure and function of the cell membrane, molecular basis for the transmission and regulation of signaling transduction and catalytic activity, mechanism of nucleic acids replication and apoptosis, as well as thermodynamics and kinetics of protein folding and characterization of misfolded states involved in neurodegenerative disease.

To achieve significant progress in the projects considered highly meritorious in peer review, we seek dedicated and efficient access to an enhanced local computation resource composed of state-of-the-art in hardware and software with parallel capability, large memory, and high speed performance. Provided the appropriate computational resources become available, the scientific synergy among the consortium members offers a fantastic opportunity to move beyond our present capability and enhance significantly the scope, importance, validity and conceptual impact of the various aspects computational biology covered by the research projects.

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