Purchase of a Molecular Modeling System

购买分子建模系统

• 批准号: 9974642
• 负责人: David Forsyth
• 金额: $ 8.4万
• 依托单位: Northeastern University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-08-15 至 2001-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9974642&HistoricalAwards=false
• 关键词: Purchase; Molecular; Modeling; System

With this award from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at Northeastern University will purchase a Molecular Modeling System. This equipment will enhance research in a variety of areas including conformational analysis and molecular modeling of substituted steroids; protein and DNA dynamics studies using spin-labeling with molecular modeling; synthesis of medicinal agents such as tamoxifen analogs; molecular modeling of drug-receptor interactions and drug-drug similarities; computational studies of horseradish peroxidase in nonaqueous media; modeling enzyme-substrate interactions in vitamin B6 mediated systems; and new DNA cleaving and crosslinking reagents.A workstation network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.

有了化学研究仪器和设施（CRIF）计划的这一奖项，东北大学化学系将购买分子建模系统。这一设备将加强各种领域的研究，包括取代类固醇的构象分析和分子建模;利用自旋标记和分子建模进行蛋白质和DNA动力学研究;合成他莫昔芬类似物等药剂;药物-受体相互作用和药物-药物相似性的分子建模;非水介质中辣根过氧化物酶的计算研究;模拟维生素B6介导系统中的酶-底物相互作用;以及新的DNA切割和交联试剂。快速、现代计算机工作站的工作站网络是满足化学系计算需求的新途径。这样的“计算机网络”也可以作为新的理论代码和算法的开发环境，提供最先进的图形和可视化设施，并支持并行处理的最先进应用的研究。