Computer System for Biophysical Chemistry

生物物理化学计算机系统

• 批准号: 8820760
• 负责人: Ronald Levy
• 金额: $ 19.5万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-05-01 至 1991-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8820760&HistoricalAwards=false
• 关键词: Computer; System; Biophysical; Chemistry

This proposal describes computational research in the area of biophysical chemistry to be carried out by the six participating co-investigators. Funding is requested to purchase a CPU upgrade for the computational facilities for biophysical chemistry. The projects for which the requested equipment will be used include: Computer Simulations of Biopolymer Structure and Dynamics, Base Sequence Effects in Double Helical DNA, Molecular Orbital Studies of Metalloorganic Complexes, Electronic Reaction Mechanisms in Metalloenzymes, Crystallographic Studies of Viruses, and NMR Studies of proteins. The need for the CPU upgrade and graphics superworkstation is based on the computationally intensive nature of these projects, and the need for visualization of the computed results concerning complex molecular systems in real time. The addition of this equipment will maintain the state-of-the-art computational facilities for biophysical chemistry at Rutgers which have been built up over the past several years.

该提案描述了在以下领域的计算研究 生物物理化学将由六个参与者进行 共同调查员 要求提供资金以购买CPU升级 用于生物物理化学的计算设施。 的 将使用所要求的设备的项目包括： 生物高分子结构与动力学的计算机模拟 双螺旋DNA序列效应的分子轨道研究 金属有机络合物的电子反应机理 金属酶、病毒晶体学研究和NMR 研究蛋白质。 需要升级CPU和显卡 超级工作站是基于计算密集的性质 这些项目，并需要可视化的计算 真实的时间复杂分子系统的结果。 的 增加这些设备将保持最先进的 罗格斯大学生物物理化学计算设施 这些都是过去几年建立起来的。