MINI-SUPERCOMPUTER AND PEPTIDE SYNTHESIZER

迷你超级计算机和肽合成仪

• 批准号: 3520838
• 负责人: PATRIK R CALLIS
• 金额: $ 15.2万
• 依托单位: MONTANA STATE UNIVERSITY - BOZEMAN
• 依托单位国家: 美国
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-05-03 至 1991-05-02
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3520838
• 关键词: biomedical equipment purchase; computer system design /evaluation; computers; peptide chemical synthesis

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.

一组PHS支持首席研究人员和其他生物医学 研究人员要求资金购买Apollo DN 10000个人Supercom- 推杆工作站并用一个 自动化模块。 提出的很大一部分涉及使用短肽 模仿整个父调节​​蛋白功能的序列 在引起受体蛋白质中的生物反应时（Dratz教授， Jesaitis，Helgerson和Starkey）。构象能计算将 在这些肽上进行预测结构。直接信息 在与受体结合的肽的活跃构象上 由Tr-Nosey 2D NMR测量与距离几何相结合， 构象能计算（Xplor和Amber）和颜色图形。 然后将修饰的肽合成以“锁定”到建议的 主动构象（Livinghouse教授，Dratz，Jesaitis，Helgerson和 Starkey）。这些肽将被测试以提高功效（较低公里） 在激发生物学反应和确定的实际构象时 作者：舒适，乔尼和罗西2d NMR。这项工作将扩展到研究 寡核酸的主动构象和化学修饰 寡糖（Starkey and Hood教授）。 使用请求的计算机进行的其他项目包括AB 电子结构和动力学的初始计算 核酸和氨基酸中光损伤的机理（Callis教授）； 改善生物活性合成的构象能量的计算 小分子（Livinghouse教授）；和大型统计分析 环境和流行病学问题的三维数据集 （古德曼教授）。用户将通过安装的局部以太网进行通信 在化学和宽带视频链接中，该链接已适当 在MSU校园。