MINI-SUPER COMPUTER

迷你超级电脑

• 批准号: 3520360
• 负责人: MICHAEL L KLEIN
• 金额: $ 40万
• 依托单位: UNIVERSITY OF PENNSYLVANIA
• 依托单位国家: 美国
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-05-24 至 1990-05-23
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3520360
• 关键词: biomedical equipment purchase; computer simulation; computers; molecular dynamics

This proposal requests funds to purchase a mini-supercomputer that will provide an highly cost effective solution to the problem of carrying out large scale computations of direct relevance to a number of N.I.H. funded research projects at the University of Pennsylvania. The group of researchers in question (Klein, Blasie. Hochstrasser, Lu, and Opella) is currently studying structural and dynamical behavior in problems ranging from micelles and membranes to proteins and genes using a variety of theoretical and experimental techniques. Computer simulation molecular dynamics calculations (Klein)have now emerged as a powerful complement to real experiments such as X-ray and neutron scattering (Blasie), NMR (Opella/Lu), and laser light scattering (Hochstrasser) that are currently underway at Penn. to probe biophysical systems. Specifically the requested mini-supercomputer will be used to carry out molecular dynamics simulations in order to aid the interpretation of experiments relating to: a) micelles and bilayers in aqueous solution (Klein), b) model membrane systems i.e. substrate supported monolayers and bilayers (Klein/Blasie), c) protein structure refinement constrained via NMR data (Opella), d) protein and nucleic acid structure refinement constrained via NMR data (Lu), and e) molecular motions in liquids and proteins (Hochstrasser). The long term goal of the above program is to provide a strong link between theory and experiment not only in order to better interpret experimental data but also to suggest new experiments that might thereby resolve outstanding issues of interpretation.

本提案要求拨款购买一台微型超级计算机