Prediction of the Structures of Protein Complexes
蛋白质复合物结构的预测
基本信息
- 批准号:10407529
- 负责人:
- 金额:$ 79.16万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2021
- 资助国家:美国
- 起止时间:2021-06-01 至 2026-05-31
- 项目状态:未结题
- 来源:
- 关键词:AntibodiesAntigensAreaBindingBinding ProteinsBiologicalBiological ProcessBiophysicsCarbohydratesCollaborationsCommunicable DiseasesComplexComputer ModelsComputer softwareComputing MethodologiesDevelopmentDiagnosticDiseaseDockingEngineeringFoundationsHealthHumanImmunologyIndividualIndustryInfrastructureInternationalInterventionLeadMalignant NeoplasmsMethodsModelingMolecularMolecular ConformationMolecular StructureNational Institute of General Medical SciencesPharmaceutical PreparationsPolysaccharidesPost-Translational Protein ProcessingProtein ConformationProtein EngineeringProteinsResolutionRouteSchemeScientistSoftware DesignStructureTeaching MaterialsTestingTissue EngineeringTrainingWorkbasedesigndrug mechanisminnovationinsightmodel designoperationpolypeptideprotein complexprotein functionprotein phosphatase inhibitor-2protein protein interactionprotein structure predictionscripting interfacesynergismthree dimensional structuretoolweb interfaceweb server
项目摘要
Prediction of the Structures of Protein Complexes
Jeffrey J. Gray, NIGMS R35 (MIRA)
PROJECT SUMMARY
Protein interactions are involved in nearly all biological processes in human health and diseases, and protein
complex structures can reveal biological mechanisms and suggest intervention strategies. Computational
modeling provides an alternative route to elucidate structures. Modeling also tests our understanding of
molecular biophysics and allows us to engineer molecules based on their structures. My lab is a pioneer in
developing computational methods to predict and design protein–protein interfaces and in applying those
methods broadly, from immunology and cancer to infectious disease and tissue engineering. Our central focus
is on protein–protein docking, that is, predicting the structure of a complex from the components (individual
polypeptides or domains). A longstanding challenge in docking is correctly capturing protein conformational
change, and we lead development of innovative search strategies and rapid scoring schemes to close this gap.
Another focus area is the modeling and design of antibodies, directly supporting drug and diagnostic agent
development and optimization. We predict high-resolution antibody structures from sequence, dock those
models to antigens, and design antibodies to target specific antigens. Several protein modifications are important
to consider when modeling interfaces. The emergence of powerful experimental methods for characterizing
glycans has prompted us to expand our tools to model carbohydrates including docking methods and focused
studies on glycotransferases. All our methods are embedded in the Rosetta software platform, which is used by
tens of thousands of academic and industry scientists worldwide. The utility of our work is evidenced by the high
demand for our prediction and design web server, scripting platform, and teaching materials. By leading the
technical and scientific testing operations for the Rosetta Commons, my lab powers the synergies to combine
Rosetta's powerful biomolecular prediction and design methods across this international collaboration.
蛋白质复合物的结构预测
Jeffrey J. Gray,NIGMS R35(MIRA)
项目摘要
蛋白质相互作用涉及人类健康和疾病的几乎所有生物过程,
复杂的结构可以揭示生物学机制并提出干预策略。计算
建模为阐明结构提供了另一种途径。建模也测试了我们对
分子生物物理学,使我们能够根据分子的结构设计分子。我的实验室是
开发预测和设计蛋白质-蛋白质界面的计算方法,并应用这些方法
从免疫学和癌症到传染病和组织工程学。我们的中心焦点
是蛋白质-蛋白质对接,也就是说,预测复合物的结构,从组件(个人)
多肽或结构域)。对接中的一个长期挑战是正确捕获蛋白质构象
我们引领创新搜索策略和快速评分计划的发展,以缩小这一差距。
另一个重点领域是抗体的建模和设计,直接支持药物和诊断试剂
发展和优化。我们从序列中预测高分辨率的抗体结构,
抗原模型,并设计针对特定抗原的抗体。几种蛋白质修饰是重要的
在接口建模时要考虑的问题。强大的实验方法的出现,
聚糖促使我们扩展我们的工具来模拟碳水化合物,包括对接方法和重点
糖基转移酶的研究。我们所有的方法都嵌入在Rosetta软件平台中,
来自世界各地数以万计的学术和工业科学家。我们的工作的效用是由高证明
我们预测和设计的Web服务器,脚本平台,和教材的需求。通过引领
我的实验室为罗塞塔共享区的技术和科学测试操作提供动力,使协同作用联合收割机
罗塞塔强大的生物分子预测和设计方法在这个国际合作。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
数据更新时间:{{ journalArticles.updateTime }}
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
数据更新时间:{{ journalArticles.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ monograph.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ sciAawards.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ conferencePapers.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ patent.updateTime }}
JEFFREY J GRAY其他文献
JEFFREY J GRAY的其他文献
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
{{ truncateString('JEFFREY J GRAY', 18)}}的其他基金
Prediction of the Structures of Protein Complexes
蛋白质复合物结构的预测
- 批准号:
10206954 - 财政年份:2021
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structures of Protein Complexes
蛋白质复合物结构的预测
- 批准号:
10693822 - 财政年份:2021
- 资助金额:
$ 79.16万 - 项目类别:
Glycomutagenesis Tools for Structure-Based Prediction and Design of Glycosyl Transfer
用于基于结构的糖基转移预测和设计的糖突变工具
- 批准号:
9897664 - 财政年份:2018
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of Structure of Therapeutic Antibodies with their Antigens
治疗性抗体结构及其抗原的预测
- 批准号:
8731999 - 财政年份:2013
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structure of Therapeutic Antibodies with their Antigens
治疗性抗体结构及其抗原的预测
- 批准号:
7487309 - 财政年份:2006
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structure of Therapeutic Antibodies with their Antigens
治疗性抗体结构及其抗原的预测
- 批准号:
8546392 - 财政年份:2006
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structure of Therapeutic Antibodies with their Antigens
治疗性抗体结构及其抗原的预测
- 批准号:
7680247 - 财政年份:2006
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structure of Therapeutic Antibodies with their Antigens
治疗性抗体及其抗原结构的预测
- 批准号:
9923648 - 财政年份:2006
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structure of Therapeutic Antibodies with their Antigens
治疗性抗体结构及其抗原的预测
- 批准号:
7132766 - 财政年份:2006
- 资助金额:
$ 79.16万 - 项目类别:
Prediction of the Structure of Therapeutic Antibodies with their Antigens
治疗性抗体结构及其抗原的预测
- 批准号:
7279806 - 财政年份:2006
- 资助金额:
$ 79.16万 - 项目类别:
相似国自然基金
Neo-antigens暴露对肾移植术后体液性排斥反应的影响及其机制研究
- 批准号:2022J011295
- 批准年份:2022
- 资助金额:10.0 万元
- 项目类别:省市级项目
结核分枝杆菌持续感染期抗原(latency antigens)的重组BCG疫苗研究
- 批准号:30801055
- 批准年份:2008
- 资助金额:19.0 万元
- 项目类别:青年科学基金项目
相似海外基金
Bovine herpesvirus 4 as a vaccine platform for African swine fever virus antigens in pigs
牛疱疹病毒 4 作为猪非洲猪瘟病毒抗原的疫苗平台
- 批准号:
BB/Y006224/1 - 财政年份:2024
- 资助金额:
$ 79.16万 - 项目类别:
Research Grant
A novel vaccine approach combining mosquito salivary antigens and viral antigens to protect against Zika, chikungunya and other arboviral infections.
一种结合蚊子唾液抗原和病毒抗原的新型疫苗方法,可预防寨卡病毒、基孔肯雅热和其他虫媒病毒感染。
- 批准号:
10083718 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Small Business Research Initiative
Uncovering tumor specific antigens and vulnerabilities in ETP-acute lymphoblastic leukemia
揭示 ETP-急性淋巴细胞白血病的肿瘤特异性抗原和脆弱性
- 批准号:
480030 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Operating Grants
Regulation of B cell responses to vaccines by long-term retention of antigens in germinal centres
通过在生发中心长期保留抗原来调节 B 细胞对疫苗的反应
- 批准号:
MR/X009254/1 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Research Grant
Adaptive Discrimination of Risk of Antigens in Immune Memory Dynamics
免疫记忆动态中抗原风险的适应性辨别
- 批准号:
22KJ1758 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Grant-in-Aid for JSPS Fellows
22-ICRAD Call 2 - Improving the diagnosis of tuberculosis in domestic ruminants through the use of new antigens and test platforms
22-ICRAD 呼吁 2 - 通过使用新抗原和测试平台改善家养反刍动物结核病的诊断
- 批准号:
BB/Y000927/1 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Research Grant
Protective immunity elicited by distinct polysaccharide antigens of classical and hypervirulent Klebsiella
经典和高毒力克雷伯氏菌的不同多糖抗原引发的保护性免疫
- 批准号:
10795212 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Integrative proteome analysis to harness humoral immune response against tumor antigens
综合蛋白质组分析利用针对肿瘤抗原的体液免疫反应
- 批准号:
23K18249 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Grant-in-Aid for Challenging Research (Exploratory)
Targeting T3SA proteins as protective antigens against Yersinia
将 T3SA 蛋白作为针对耶尔森氏菌的保护性抗原
- 批准号:
10645989 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别:
Functionally distinct human CD4 T cell responses to novel evolutionarily selected M. tuberculosis antigens
功能独特的人类 CD4 T 细胞对新型进化选择的结核分枝杆菌抗原的反应
- 批准号:
10735075 - 财政年份:2023
- 资助金额:
$ 79.16万 - 项目类别: