PROTEIN STRUCTURAL REFINEMENT USING COARSE-GRAINED MODELS OVER HIGH PERF COMPUT

在高性能计算上使用粗粒度模型进行蛋白质结构细化

• 批准号: 8168289
• 负责人: Di Wu
• 金额: $ 2.53万
• 依托单位: UNIVERSITY OF LOUISVILLE
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-05-01 至 2011-04-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8168289
• 关键词: Cereals; Computer Retrieval of Information on Scientific Projects Database; Databases; Deposition; Funding; Grant; Homology Modeling; Institution; Methods; Modeling; Nuclear Magnetic Resonance; Research; Research Personnel; Resolution; Resources; Source; Structural Protein; Structure; Technology; United States National Institutes of Health; X-Ray Crystallography; knowledge base; protein folding; protein structure

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. Protein structures can be determined through either experimental methods, such as X-ray crystallography and Nuclear Magnetic Resonance (NMR) technology, or theoretical methods, such as protein folding and homology modeling. However, many of determine protein structures are usually not as accurate as desired. Therefore, their applications have been severely limited in important fields, and structure refinement is always important and critical. In recent decades, the number of high resolution protein structures determined and deposited in PDB database is increasing, which makes it possible to conduct statistical analysis in the structural database. In this project, we propose a knowledge-based approach for protein structure refinement.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 蛋白质结构可以通过实验方法（例如 X 射线晶体学和核磁共振 (NMR) 技术）或理论方法（例如蛋白质折叠和同源建模）来确定。然而，许多确定的蛋白质结构通常不如预期的那么准确。因此，它们在重要领域的应用受到严重限制，结构细化始终是重要且关键的。近几十年来，确定并存入PDB数据库的高分辨率蛋白质结构数量不断增加，这使得在结构数据库中进行统计分析成为可能。在这个项目中，我们提出了一种基于知识的蛋白质结构细化方法。