MOLECULAR MODELLING NETWORK

分子建模网络

• 批准号: 3520218
• 负责人: JOHN W SUGGS
• 金额: $ 8.1万
• 依托单位: BROWN UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-05-26 至 1990-05-25
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3520218
• 关键词: biological models; biomedical equipment purchase; biomedical equipment resource; chemical structure; computer graphics /printing

This BRSG Shared Instrumentation Grant Proposal is submitted to purchase a molecular modelling network which will be used by groups in the departments of chemistry and biology at Brown University. The hardware consists of two Silicon Graphics High Resolution Graphics Workstations, a 4D/60 and a 4D/70GT, which will be used by the chemists and biologists, respectively; two broadband Ethernet bridges to enable the workstations to communicate with each other over Brown's Brunet coaxial cable network, and to communicate with the Star 100 array processor in the computer center, and, finally, video equipment for the generation of videotapes which will record the results of modelling studies. The software to run on these molecular modelling workstations will be CHARMm (using the commercially available Quanta package from Polygen Corp.). This network will greatly assist in studies of drug-DNA interactions, in modelling the conformations and energies of new drug molecules, in modelling the dynamics of ion-ion channel interactions, in modelling the effects of substitutions on ribosomal RNA structure, in investigating the conformations of opiod and somatostatin-related peptides, in studying the possible conformations of proteins related to the mode of action of insulin, and the network will aid in research on the conformational requirements of biological electron transfer. A group of four chemists and twelve biologists make up the core of the users of this facility. In addition, Dr. Michael Pear, who is manager of academic computing services at Brown, and who has done extensive postdoctoral research in the field of molecular modelling, will serve as coordinator of the facility. At present there are no accessible high-resolution graphical facilities and no specialized molecular modelling facilities at Brown. In addition to aiding the biomedical research capabilities of the Brown faculty taking part in this proposal, these facilities that are being requested should add new capabilities to the University's research base as a whole.

此 BRSG 共享仪器拨款提案已提交至 购买一个分子建模网络供团体使用 在布朗大学化学系和生物学系。 硬件由两个 Silicon Graphics 高分辨率组成 将使用图形工作站，4D/60 和 4D/70GT 分别由化学家和生物学家；两个宽带 以太网桥使工作站能够与 通过 Brown 的 Brunet 同轴电缆网络相互连接，并 与计算机中的Star 100阵列处理器通信 中心，最后是用于生成的视频设备 记录建模研究结果的录像带。 这 在这些分子建模工作站上运行的软件将是 CHARMm（使用商用 Quanta 软件包 保利根公司）。 该网络将极大地帮助研究 药物-DNA 相互作用，在构象和能量建模中 新药物分子的离子-离子通道动力学建模 相互作用，在模拟替代的影响时 核糖体RNA结构，在研究构象时 阿片类药物和生长抑素相关肽，在研究可能的 与胰岛素作用模式相关的蛋白质构象， 该网络将有助于构象研究 生物电子传递的要求。 四人一组 化学家和十二位生物学家构成了用户的核心 这个设施。 此外，Michael Pear 博士是 布朗大学的学术计算服务，并且做了广泛的工作 分子建模领域的博士后研究，将 担任该设施的协调员。 目前还没有可用的高分辨率图形 设施，并且没有专门的分子建模设施 棕色的。 除了帮助生物医学研究能力 参与该提案的布朗大学教师中，这些设施 所要求的应该添加新的功能 大学的研究基地作为一个整体。