STEERED MOLECULAR DYNAMICS-INVESTIGATE PROTEIN FUNCTION
引导分子动力学 - 研究蛋白质功能
基本信息
- 批准号:6387109
- 负责人:
- 金额:$ 16.82万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2000
- 资助国家:美国
- 起止时间:2000-04-01 至 2003-03-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
Folding/unfolding of mechanical proteins, binding/unbinding of
non-covalently attached biomolecules, and selectivity of biological
transmembrane ion channels are at the heart of many important processes like
muscle stretching, immune response, electrical signaling, and are the target of
experimental and theoretical investigations. Dr. Schulten proposes to use
Steered Molecular Dynamics (SMD) simulations, a tool that allows one to
investigate processes which cannot be easily detected in experiments, to: 1)
understand how the architecture of sandwich domains in the immunoglobulin (Ig)
and fibronectin type III (FnIII) domains of titin has served nature to design
proteins which can withstand high forces and act as stress sensors, and resolve
at the atomic level the mechanical stretching and unfolding of protein domains
by forced unfolding of the Ig and FnIII domains; 2) quantify changes in the
protein flexibility connected with antibody maturation and investigate hapten
interactions with residues of the binding pocket by inducing the unbinding of
the hapten; 3) determine the potential of mean force and explain the basis for
the fidelity with which the K+ channel distinguishes between K+ and Na+ ions,
and for the selectivity encoded in the signature sequence of the K+ channel by
simulating the passing of K+ ions through the channel. These studies will
provide results that can be directly compared to experimental data, as well as
complement observations through atomic-level details of these processes
explaining the data.
机械蛋白的折叠/展开,结合/解结合
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)
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Klaus Schulten其他文献
Klaus Schulten的其他文献
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{{ truncateString('Klaus Schulten', 18)}}的其他基金
DETERMINING THE PATHWAY OF NASCENT-PROTEIN INSERTION THROUGH THE PROTEIN-CONDUC
确定新生蛋白通过蛋白质传导插入的途径
- 批准号:
8364332 - 财政年份:2011
- 资助金额:
$ 16.82万 - 项目类别:
SIMULATIONS OF SUPRAMOLECULAR BIOLOGICAL STRUCTURES
超分子生物结构的模拟
- 批准号:
8364241 - 财政年份:2011
- 资助金额:
$ 16.82万 - 项目类别:
Commodity Hardware Acceleration of Popular Modeling Software for Structural Biolo
结构 Biolo 流行建模软件的商品硬件加速
- 批准号:
8300818 - 财政年份:2011
- 资助金额:
$ 16.82万 - 项目类别:
Commodity Hardware Acceleration of Popular Modeling Software for Structural Biolo
结构 Biolo 流行建模软件的商品硬件加速
- 批准号:
8657059 - 财政年份:2011
- 资助金额:
$ 16.82万 - 项目类别:
Commodity Hardware Acceleration of Popular Modeling Software for Structural Biolo
结构 Biolo 流行建模软件的商品硬件加速
- 批准号:
8147612 - 财政年份:2011
- 资助金额:
$ 16.82万 - 项目类别:
Commodity Hardware Acceleration of Popular Modeling Software for Structural Biolo
结构 Biolo 流行建模软件的商品硬件加速
- 批准号:
8465244 - 财政年份:2011
- 资助金额:
$ 16.82万 - 项目类别:
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