MODELING STUDIES OF BIOMOLECULAR SYSTEMS AND NANOMATERIALS

生物分子系统和纳米材料的建模研究

• 批准号: 7601339
• 负责人: ADRIAN ENRIQUE ROITBERG
• 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/7601339
• 关键词: Biological; Computer Retrieval of Information on Scientific Projects Database; Disease; Fluorescence Resonance Energy Transfer; Funding; Grant; Individual; Institution; Molecular; Numbers; Research; Research Personnel; Resources; Ruthenium; Sampling; Source; Study models; System; United States National Institutes of Health; base; interest; nanomaterials; nanosystems; protein structure; simulation

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 request 1,997,600 SUs in a number of platforms at NCSA, PSC and SDSC to do simulations in systems of nano and biological interest. We have divided this proposal into four different individual projects. I. Computation of FRET efficiencies in biological molecules. II. Studies in Chagass disease related protein structure and mechanisms. III. Advanced QM/MM Sampling. IV. Ruthenium-based molecular wires.

这个子项目是许多利用 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 我们在NCSA、PSC和SDSC的多个平台上请求1，997，600个SU，以在纳米和生物学系统中进行模拟。我们把这个项目分成了四个不同的项目。I.计算生物分子中的FRET效率。二.查加斯病相关蛋白质结构和机制的研究。三.高级QM/MM采样。四.钌基分子线。