Purchase of a Molecular Modeling System

利用化学研究仪器和设施(CRIF)计划授予的这一奖项，东北大学化学系将购买一套分子建模系统。该设备将加强多个领域的研究，包括取代类固醇的构象分析和分子建模；使用自旋标记和分子建模进行蛋白质和DNA动力学研究；合成药物，如他莫昔芬类似物；药物-受体相互作用和药物-药物相似性的分子模拟；非水介质中辣根过氧化物酶的计算研究；模拟维生素B6介导的系统中的酶-底物相互作用；以及新的DNA裂解和交联剂。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。这种“计算机网络”还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，并支持对最先进的并行处理应用程序的研究。

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.