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.

该副本是利用众多研究子项目之一 由NIH/NCRR资助的中心赠款提供的资源。子弹和 调查员（PI）可能已经从其他NIH来源获得了主要资金， 因此可以在其他清晰的条目中代表。列出的机构是 对于中心，这不一定是调查员的机构。 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研究以及金属选择性和底物特异性的QM/MM proteytica氨基肽酶的底物和底物特异性；液体环境中吸入麻醉的构象和电荷分布；并且，对仿生聚合物的扭转电位进行了群体研究。我们想指出的是，由于高度计算需求，这些项目不可能在GS1280平台上完成，只有1个处理器。然而，随着将来将机器扩展到128个处理器的前景，测试其在大规模生物应用上的性能肯定很重要。这正是我们的意图。