INSIGHT INTO BIOMOLECULAR STRUCTURE, DYNAMICS, INTERACTIONS AND ENERGETIC FROM

深入了解生物分子结构、动力学、相互作用和能量

• 批准号: 7956069
• 负责人: THOMAS E CHEATHAM
• 金额: $ 0.08万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-08-01 至 2010-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7956069
• 关键词: Amber; Biomedical Research; Computer Retrieval of Information on Scientific Projects Database; Funding; Goals; Grant; High Performance Computing; Institution; International Network for Strategic Initiatives in Global HIV Trials; Methods; Nucleic Acids; Proteins; Research; Research Personnel; Resources; Source; Structure; United States National Institutes of Health; simulation

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The aim of our continuing studies is to push the boundaries of atomistic biomolecular simulation methods with a goal to expose deficiencies in the force fields and methods. We apply well-known and optimized simulation methods including AMBER and NAMD. The biomolecular simulation methods, when applied in a proper and consistent manner (utilizing the appropriate parameters and methods), allow us to better understand the structure, dynamics, interactions and energetics of proteins and nucleic acids.

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 我们继续研究的目的是推动原子生物分子模拟方法的边界，目的是揭露力场和方法中的缺陷。我们采用了包括AMBER和NAMD在内的知名和优化的仿真方法。生物分子模拟方法，当以适当和一致的方式应用时(利用适当的参数和方法)，使我们能够更好地理解蛋白质和核酸的结构、动力学、相互作用和能量学。