Computational Design of Protein Structures and Complexes
蛋白质结构和复合物的计算设计
基本信息
- 批准号:10389382
- 负责人:
- 金额:$ 4.5万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2019
- 资助国家:美国
- 起止时间:2019-06-01 至 2024-05-31
- 项目状态:已结题
- 来源:
- 关键词:AreaBinding ProteinsBinding SitesBiological ProcessCodeCommunitiesComputer softwareComputersComputing MethodologiesDevelopmentDiseaseEngineeringEnvironmentGoalsLigand BindingMaintenanceMedicineMethodsNatureProtein EngineeringProteinsReagentResearchRunningSamplingSumSurfaceTertiary Protein StructureTestingTherapeuticanti-cancer therapeuticanticancer activitybasedesignenzyme activityimprovedmolecular modelingnovel strategiesprogramsprotein complexprotein foldingprotein protein interactionprotein structure
项目摘要
Contact PD/PI: Kuhlman, Brian A
Project Summary/Abstract
Protein design is a rigorous test of our understanding of protein structure and stability and can be used to create
proteins that have important applications in research and medicine. This project focuses on three topics in
computer-based protein design: (1) the design of protein–protein interfaces, (2) de novo protein design, and (3)
development of the molecular modeling program Rosetta. Protein–protein interactions are essential to almost all
biological processes. We have developed new adaptive sampling strategies within Rosetta for designing
interaction surfaces between protein domains that do not naturally interact. We will continue to improve this
method while testing it on diverse design goals such as engineering autoinhibitory domains to regulate the activity
of anti-cancer therapeutics and enhancing enzyme activity via the incorporation of substrate recognition
domains. Our second area of focus is de novo protein design, and more particularly, an approach that we call
requirement-driven protein design, in which the goal is to create well-folded proteins that match a set of user-
defined requirements. To perform requirement-driven protein design, we have created a computational method
called SEWING for designing proteins from pieces of naturally occurring proteins. We will explore a variety of
design requirements with SEWING, including the incorporation of ligand-binding sites and protein interaction
motifs. The third area of concentration for this project is the improvement and maintenance of the molecular
modeling software Rosetta. We will continue long-standing activities aimed at supporting the large community
of Rosetta developers and users. These include running Rosetta “boot camps” that teach people how to code
in the Rosetta environment and spearheading code-cleanup activities to improve the extensibility of the software.
In addition, we will develop new approaches for rapidly calculating the energy of a protein and create core
methods that will allow the community to take better advantage of hardware advances in GPUs. In sum, by
pursuing this project, we will expand the capabilities of computational protein design and create molecules that
can be used to understand or treat disease.
Page 6
Project Summary/Abstract
联系PD/PI: Kuhlman, Brian A
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 }}
BRIAN A KUHLMAN其他文献
BRIAN A KUHLMAN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('BRIAN A KUHLMAN', 18)}}的其他基金
Computational Design of Protein Structures and Complexes
蛋白质结构和复合物的计算设计
- 批准号:
10433948 - 财政年份:2019
- 资助金额:
$ 4.5万 - 项目类别:
Computational Design of Protein Structures and Complexes
蛋白质结构和复合物的计算设计
- 批准号:
10415800 - 财政年份:2019
- 资助金额:
$ 4.5万 - 项目类别:
Computational Design of Protein Structures and Complexes
蛋白质结构和复合物的计算设计
- 批准号:
10119999 - 财政年份:2019
- 资助金额:
$ 4.5万 - 项目类别:
Computational Design of Protein Structures and Complexes
蛋白质结构和复合物的计算设计
- 批准号:
10647739 - 财政年份:2019
- 资助金额:
$ 4.5万 - 项目类别:
GPU workstation for deep learning-based protein design and cryo-EM data processing
GPU 工作站,用于基于深度学习的蛋白质设计和冷冻电镜数据处理
- 批准号:
10797767 - 财政年份:2019
- 资助金额:
$ 4.5万 - 项目类别:
Computational Design of Protein Structures and Complexes
蛋白质结构和复合物的计算设计
- 批准号:
10226832 - 财政年份:2019
- 资助金额:
$ 4.5万 - 项目类别:
Computational Methods for Requirement-Driven Protein Design
需求驱动的蛋白质设计的计算方法
- 批准号:
9056243 - 财政年份:2015
- 资助金额:
$ 4.5万 - 项目类别:
Computational Methods for Requirement-Driven Protein Design
需求驱动的蛋白质设计的计算方法
- 批准号:
9315841 - 财政年份:2015
- 资助金额:
$ 4.5万 - 项目类别:
Computational Methods for Requirement-Driven Protein Design
需求驱动的蛋白质设计的计算方法
- 批准号:
9549177 - 财政年份:2015
- 资助金额:
$ 4.5万 - 项目类别:
Design of Genetically Encoded Photoactivatable Proteins
基因编码光活化蛋白质的设计
- 批准号:
7865327 - 财政年份:2010
- 资助金额:
$ 4.5万 - 项目类别:
相似海外基金
Regulatory function played by cis-acting NF1-like binding sites on cell-specific gene expression and characterization of their DNA binding proteins
顺式作用 NF1 样结合位点对细胞特异性基因表达的调节功能及其 DNA 结合蛋白的表征
- 批准号:
138624-1997 - 财政年份:2000
- 资助金额:
$ 4.5万 - 项目类别:
Discovery Grants Program - Individual
Regulatory function played by cis-acting NF1-like binding sites on cell-specific gene expression and characterization of their DNA binding proteins
顺式作用 NF1 样结合位点对细胞特异性基因表达的调节功能及其 DNA 结合蛋白的表征
- 批准号:
138624-1997 - 财政年份:1999
- 资助金额:
$ 4.5万 - 项目类别:
Discovery Grants Program - Individual
Regulatory function played by cis-acting NF1-like binding sites on cell-specific gene expression and characterization of their DNA binding proteins
顺式作用 NF1 样结合位点对细胞特异性基因表达的调节功能及其 DNA 结合蛋白的表征
- 批准号:
138624-1997 - 财政年份:1998
- 资助金额:
$ 4.5万 - 项目类别:
Discovery Grants Program - Individual
Regulatory function played by cis-acting NF1-like binding sites on cell-specific gene expression and characterization of their DNA binding proteins
顺式作用 NF1 样结合位点对细胞特异性基因表达的调节功能及其 DNA 结合蛋白的表征
- 批准号:
138624-1997 - 财政年份:1997
- 资助金额:
$ 4.5万 - 项目类别:
Discovery Grants Program - Individual
IDENTIFICATION OF HYDROXYAPATITE-BINDING SITES OF HYDROXYAPATITE-BINDING PROTEINS IN MINERALIZED TISSUES
矿化组织中羟基磷灰石结合蛋白的羟基磷灰石结合位点的鉴定
- 批准号:
06671845 - 财政年份:1994
- 资助金额:
$ 4.5万 - 项目类别:
Grant-in-Aid for General Scientific Research (C)
STEROID BINDING SITES OF STEROID BINDING PROTEINS
类固醇结合蛋白的类固醇结合位点
- 批准号:
3225280 - 财政年份:1975
- 资助金额:
$ 4.5万 - 项目类别:
STEROID BINDING SITES OF STEROID BINDING PROTEINS
类固醇结合蛋白的类固醇结合位点
- 批准号:
2136861 - 财政年份:1975
- 资助金额:
$ 4.5万 - 项目类别:
STEROID BINDING SITES OF STEROID BINDING PROTEINS
类固醇结合蛋白的类固醇结合位点
- 批准号:
3225281 - 财政年份:1975
- 资助金额:
$ 4.5万 - 项目类别:
STEROID BINDING SITES OF STEROID BINDING PROTEINS
类固醇结合蛋白的类固醇结合位点
- 批准号:
3225279 - 财政年份:1975
- 资助金额:
$ 4.5万 - 项目类别:
STEROID BINDING SITES OF STEROID BINDING PROTEINS
类固醇结合蛋白的类固醇结合位点
- 批准号:
3225276 - 财政年份:1975
- 资助金额:
$ 4.5万 - 项目类别: