PREDICTION OF REFINED COMPLEX STRUCTURES

精细复杂结构的预测

• 批准号: 7723154
• 负责人: Carlos J. Camacho
• 金额: $ 0.05万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-08-01 至 2009-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7723154
• 关键词: Algorithms; Binding; Complex; Computer Retrieval of Information on Scientific Projects Database; Covalent Interaction; Employee Strikes; Funding; Goals; Grant; Institution; Lead; Pliability; Proteins; Research; Research Personnel; Resources; Screening procedure; Source; Structure; United States National Institutes of Health; in vivo; protein structure; three dimensional 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. In vivo, proteins encounter many potential binding partners. However, a striking set of specific non-covalent interactions encoded in the three-dimensional structure lead proteins to bind to evolutionary pre-determined unique substrates. It is the ultimate goal of this proposal to develop a fast algorithm to predict complex structures between interacting proteins. The algorithm will perform a fast screening of rigid body decoys and then refined the top ranked structures from this initial analysis by including flexibility of the protein structures.

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。 在体内，蛋白质遇到许多潜在的结合伙伴。然而，三维结构中编码的一组引人注目的特定非共价相互作用导致蛋白质与进化预先确定的独特底物结合。该提案的最终目标是开发一种快速算法来预测相互作用蛋白质之间的复杂结构。该算法将对刚体诱饵进行快速筛选，然后通过包括蛋白质结构的灵活性，从初始分析中细化排名靠前的结构。