High Performance Computing Cluster for Bioimaging and Computational Biology

描述（由申请人提供）：我们建议在弗朗西斯科加州大学的加州定量生物科学研究所（QB 3）现有的共享计算集群中增加1，400个处理器核心。升级后的基于Linux的2,800个处理器核心集群将以一小部分成本提供超级计算机级的性能。该集群将由至少23个NIH资助的生物医学研究人员使用，并将支持至少84个活跃和待定的NIH赠款。研究项目包括虚拟药物发现，蛋白质结构建模，蛋白质折叠模拟，大分子组装的综合结构测定，X射线晶体学，NMR光谱学和电子显微镜的结构测定，系统生物学，磁共振成像数据处理，基因组学和药物基因组学数据集分析，以及医学信息学。计算机集群将使人们有可能进行计算密集的生物医学研究，否则是不可行的，从而大大提高了一些生物医学研究学科的科学发现率。集群的机构支持将由加州定量生物科学研究所（QB 3）提供，包括空间、电力、空调和系统管理员的工资支持。 公共卫生相关性：拟议的计算机集群将由至少23个NIH资助的生物医学研究人员使用，并将支持至少84个活跃和待定的NIH赠款。研究项目涵盖药物发现、结构生物学、系统生物学、基因组学、生物成像和医学信息学等领域。计算机集群将使人们能够进行计算密集型生物医学研究，否则是不可行的。

DESCRIPTION (provided by applicant): We propose to add 1,400 processor cores to the existing shared computing cluster at California Institute for Quantitative Biosciences (QB3) at University of California, San Francisco. The upgraded Linux-based cluster of 2,800 processor cores will provide supercomputer class performance at a fraction of the cost. The cluster will be used by at least 23 NIH-funded biomedical researchers and will support at least 84 active and pending NIH grants. Research programs include virtual drug discovery, protein structure modeling, protein folding simulations, integrative structure determination of macromolecular assemblies, structure determination by X-ray crystallography, NMR spectroscopy and electron microscopy, systems biology, processing of Magnetic Resonance Imaging data, analysis of datasets in genomics and pharmacogenomics, and medical informatics. The computer cluster will make it possible to carry out computationally intensive biomedical research not otherwise feasible, and thus significantly increase the rate of scientific discovery in a number of biomedical research disciplines. Institutional support for the cluster will be provided by the California Institute of Quantitative Biosciences (QB3) and consists of space, power, air conditioning, and salary support for a system administrator. PUBLIC HEALTH RELEVANCE: The proposed computer cluster will be used by at least 23 NIH-funded biomedical researchers and will support at least 84 active and pending NIH grants. Research programs span the fields of drug discovery, structural biology, systems biology, genomics, bioimaging, and medical informatics. The computer cluster will make it possible to carry out computationally intensive biomedical research not otherwise feasible.