NIH GRANT, ACCESS TO JONAS

美国国立卫生研究院资助，接触乔纳斯

• 批准号: 7601265
• 负责人: MICHAEL L. KLEIN
• 金额: $ 0.03万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-08-01 至 2008-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7601265
• 关键词: Anesthetics; Biological; Biomimetics; Breathing; Charge; Computer Retrieval of Information on Scientific Projects Database; Environment; Funding; Future; Grant; Institution; Ion Channel; Liquid substance; Metals; Molecular Conformation; Performance; Polymers; Research; Research Personnel; Resources; Source; Substrate Specificity; Testing; United States National Institutes of Health; bacterial leucyl aminopeptidase

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We intend to perform test calculations on four projects on jonas: QM/MM studies of ClC ion channels and of metal selectivity and substrate specificity in Aeromonas proteolytica aminopeptidase; conformation and charge distribution of inhaled anesthetic in liquid environments; and, a coupled-cluster study of torsional potentials for biomimetic polymers. We would like to point out that the projects are not likely to be completed on the GS1280 platform with only 1 processors due to their high computational demands. Nevertheless, with the prospect for future expansion of the machine to 128 processors, it is certainl important to test its performance on large-scale biological applications. This is precisely our intent.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目及 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 我们打算对 jonas 的四个项目进行测试计算：ClC 离子通道的 QM/MM 研究以及解气单胞菌氨肽酶的金属选择性和底物特异性；液体环境中吸入麻醉剂的构象和电荷分布；以及仿生聚合物扭转势的耦合簇研究。我们想指出的是，由于计算需求很高，这些项目不太可能在只有 1 个处理器的 GS1280 平台上完成。尽管如此，考虑到未来该机器将扩展到 128 个处理器，在大规模生物应用中测试其性能无疑很重要。这正是我们的意图。