MODELING ANTIBODY-CARBOHYDRATE COMPLEXES-PART B

抗体-碳水化合物复合物建模 - B 部分

• 批准号: 8361826
• 负责人: ROBERT J WOODS
• 金额: $ 0.18万
• 依托单位: UNIVERSITY OF GEORGIA
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-02-01 至 2012-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361826
• 关键词: Antibodies; Binding; Blood typing procedure; Carbohydrates; Complex; Data; Docking; Excision; Funding; Grant; Guidelines; Methods; Modeling; National Center for Research Resources; Polysaccharides; Principal Investigator; Procedures; Process; Relative (related person); Research; Research Infrastructure; Resources; Source; Structure; Testing; United States National Institutes of Health; blood group; cost; improved; molecular dynamics; programs; virtual

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Carbohydrate docking and threading procedures, established on the JAA-F11 antibody, will be developed to improve throughput using a program to automate several steps including glycan motif identification, removal of false positives from docking results using glycan array or STD NMR data as guidelines, and carbohydrate threading of a virtual glycan array for glycans containing the docked motif. Post-processing methods, like molecular dynamics and MM-PB/GBSA calculations will also be automated to provide a better idea of relative binding if more than one docking structure is identified. These methods will be tested on a blood group A antibody.

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 子项目的主要研究者可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 将开发在JAA-F11抗体上建立的碳水化合物对接和穿线程序，以使用程序自动化几个步骤来提高通量，这些步骤包括聚糖基序鉴定、使用聚糖阵列或STD NMR数据作为指导从对接结果中去除假阳性，以及含有对接基序的聚糖的虚拟聚糖阵列的碳水化合物穿线。 后处理方法，如分子动力学和MM-PB/GBSA计算也将自动化，以提供更好的相对结合的想法，如果一个以上的对接结构被确定。 这些方法将在A血型抗体上进行测试。