MODELING OF NEUROTRANSMITTER GATED CHANNELS & RECEPTORS & RELATED PROTEINS

神经递质门控通道的建模

• 批准号: 6221097
• 负责人: MICHAEL CASCIO
• 金额: $ 0.13万
• 依托单位: MELLON PITTS CORPORATION (MPC CORP)
• 依托单位国家: 美国
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-08-01 至 2000-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6221097
• 关键词: biological products; biomaterials; biomedical resource; nucleic acids; proteins

Resources are requested for a computational approach to problems in peptide an nucleic acid biochemistry involving the simulation of the effects of salt on structure and dynamics. Application and development of new simulation methods serves to check the approximate analytic methods and to study more complicated systems inappropriate for our current theories. We hope to extend these supercomputing projects supported by NIH and an NSF Grand Challenge Application project. Three ongoing scientific projects will be described: 1) Salt effect in Peptide Solutions, 2) Antiviral Triplex forming Oligonucleotides, 3) Techniques for Simulating Protein Solutions. The goal of the project is to produce a detailed and accurate picture of selected inter- and intramolecular distributions for the chosen biomolecules in aqueous solution which will be compared with new experimental structural studies such as those produced by Xray and neutron diffraction difference measurements and NMR/NOE e xperiments.

需要资源来解决问题的计算方法 在肽中，核酸生物化学涉及模拟 盐对结构和动力学的影响。 应用及 新模拟方法的开发有助于检查近似值 分析方法和研究更复杂的系统不合适 对于我们当前的理论。 我们希望扩展这些超级计算 NIH 和 NSF Grand Challenge 应用程序支持的项目 项目。 将描述三个正在进行的科学项目：1) 肽溶液中的盐效应，2) 抗病毒三链体形成 寡核苷酸，3) 模拟蛋白质溶液的技术。 这 该项目的目标是生成详细而准确的图像 选定的分子间和分子内分布 水溶液中的生物分子将与新的生物分子进行比较 实验结构研究，例如 X 射线和 中子衍射差异测量和 NMR/NOE 实验。