MINI-SUPERCOMPUTER AND PEPTIDE SYNTHESIZER

一组PHS支持主要研究者和其他生物医学 研究人员申请资金购买阿波罗DN 10000个人超级通信系统， 计算机工作站，并升级现有的肽合成器与 自动化模块 一个大部分的工作建议涉及使用短肽 模拟整个亲本调节蛋白功能的序列 在受体蛋白中引起生物反应（Dratz教授， Jesaitis，Helgerson，and Starkey）.构象能计算将 来预测这些肽的结构。直接信息 对与其受体结合的肽的活性构象的影响将 由TR-NOSEY 2D NMR测量与距离几何学结合提供， 构象能计算（XPLOR和AMBER）和彩色图形。 然后将合成修饰的肽以“锁定”到所提议的多肽中。 活性构象（Livinghouse、Dratz、Jesaitis、Helgerson和 Starkey）。将检测这些肽的有效性增加（Km降低） 在激发生物反应和确定的实际构象 COSY、NOSEY和ROSEY 2D NMR。这项工作将扩大到研究 低聚糖的活性构象和化学修饰 低聚糖（Starkey和Hood教授）。 使用所要求的计算机进行的其他项目包括ab 电子结构和动力学的第一性计算来研究 核酸和氨基酸的光损伤机制（Callis教授）; 用于改进生物活性物质合成的构象能计算 小分子（Livinghouse教授）;和大分子的统计分析 环境和流行病问题三维数据集 （古德曼教授）。用户将通过安装的局域以太网进行通信 在化学和宽带视频链接，这是到位，以其他点 在密歇根州立大学校园里

A group of PHS supported principal investigators and other biomedical researchers request funds to purchase an Apollo DN 10000 personal supercom- puter workstation and to upgrade an existing peptide synthesizer with an automation module. A large fraction of the work proposed involves the use of short peptide sequences which mimic the function of the entire parent regulatory protein in provoking a biological response in a receptor protein (Prof. Dratz, Jesaitis, Helgerson, and Starkey). Conformational energy calculations will be carried out on these peptides to predict structure. Direct information on the active conformations of the peptides bound to their receptors will be provided by TR-NOSEY 2D NMR measurements coupled with distance geometry, conformational energy calculations (XPLOR and AMBER), and color graphics. Modified peptides will be then synthesized to be "locked" into the proposed active conformations (Prof. Livinghouse, Dratz, Jesaitis, Helgerson, and Starkey). These peptides will be tested for increased efficacy (lower Km) in provoking the biological response and the actual conformation determined by COSY, NOSEY, and ROSEY 2D NMR. This work will be extended to studies of active conformations of oligosaccaharides and chemically modified oligosaccharides (Prof. Starkey and Hood). Other projects to be carried out using the computer requested include ab initio calculations of electronic structure and dynamics to investigate mechanisms of photodamage in nucleic acids and amino acids (Prof. Callis); calculations of conformational energies for improved synthesis of bioactive small molecules (Professors Livinghouse); and statistical analysis of large three dimensional data sets for environmental and epidemiological problems (Prof. Goodman). Users will communicate via a local area Ethernet installed in Chemistry and a broadband video link which is in place to other points on the MSU campus.