Computational approaches to single molecule force spectroscopy
单分子力谱的计算方法
基本信息
- 批准号:7983573
- 负责人:
- 金额:$ 30万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2010
- 资助国家:美国
- 起止时间:2010-08-05 至 2015-07-31
- 项目状态:已结题
- 来源:
- 关键词:AffectBindingBiologicalBiophysical ProcessCatalytic RNACell AdhesionCell Adhesion MoleculesCerealsCharacteristicsComplexComputer SimulationComputing MethodologiesCrowdingDNADependenceDevelopmentDiseaseElasticityEndotheliumFamilyGoalsGreen Fluorescent ProteinsIn VitroInflammationInjuryKineticsLaboratoriesLeadLectinLeukocytesLigandsLinkMeasurementMechanicsMediatingModelingMolecularMolecular ModelsMuramidaseNatureOutcomeOutcome StudyP-SelectinPathway interactionsProcessProteinsProtocols documentationRNARNA FoldingRNA-Protein InteractionResearchRouteSpectrum AnalysisStretchingStructureSystemTheoretical modelTimeTissuesUbiquitinVariantWorkbasecomputerized toolsdesignin vivoinsightinterestmodels and simulationmolecular modelingnovelparticleprotein complexprotein foldingprotein structurepublic health relevanceresearch studyresponsesimulationsingle moleculesound
项目摘要
DESCRIPTION (provided by applicant): A molecular understanding of the way proteins and RNA fold and how they respond to each other holds the key to describing their functions and the ability to design biological molecules with novel functions. Spectacular advances in experiments, that manipulate
biomolecules at the single molecule level using mechanical force, are providing an unprecedented picture of the folding landscapes of proteins, RNA, and ligand-protein complexes. Computer simulations that can be done under conditions that are similar to those used in experiments are required to extract molecular details of the underlying biophysical processes from measurements. We describe novel theoretical and computational tools that are not only integral to the understanding of the experiments but are also useful in predicting their outcomes over a range of conditions that are difficult to
explore in the laboratory. Using computational methods, we are poised to make substantial progress in quantitatively describing the folding mechanisms of proteins and RNA and the interactions between cell adhesion molecules and their cognate ligands. In particular, the proposed research will offer insights into the molecular basis of elasticity of Green Fluorescent Protein and Lysozyme and the dependence of folding routes in RNA and proteins on the precise way force is applied. Applications are also
planned to explore mechanical stability of Ubiquitin in the presence of crowding particles. The work on the response of the complex between the cell adhesion molecule PSelectin and the ligand is intended to provide molecular details of the unusual enhancement of the lifetime of the complex at low forces. Our studies will lead to a global framework for interpreting a wide range of single molecule experiments and will prove essential in the design of new experiments that can probe biophysical processes
under cellular conditions. The conceptual progress and applications to a number of cutting edge problems that is expected from the proposed researches will lead to a substantial advance in our understanding of the response of biological molecules to force - which is pivotal to a number of in vitro and in vivo problems.
PUBLIC HEALTH RELEVANCE: Understanding how RNA and proteins fold and interact with each other holds the key to describing their functions. The proposed research will give a molecular view of the underlying mechanisms of these processes at the single molecule level. The studies will give us insights into diseases linked to misfolding and the biophysical basis of response of cell adhesion proteins to inflammation and tissue injury.
描述(由申请人提供):对蛋白质和 RNA 折叠方式以及它们如何相互作用的分子理解是描述其功能和设计具有新功能的生物分子的能力的关键。实验取得了惊人的进展,操纵
利用机械力在单分子水平上研究生物分子,为蛋白质、RNA 和配体-蛋白质复合物的折叠景观提供了前所未有的图像。需要在与实验中使用的条件相似的条件下进行计算机模拟,以从测量中提取潜在生物物理过程的分子细节。我们描述了新颖的理论和计算工具,这些工具不仅是理解实验不可或缺的一部分,而且还有助于预测一系列难以预测的条件下的结果。
在实验室探索。利用计算方法,我们有望在定量描述蛋白质和 RNA 的折叠机制以及细胞粘附分子与其同源配体之间的相互作用方面取得实质性进展。特别是,拟议的研究将深入了解绿色荧光蛋白和溶菌酶弹性的分子基础,以及 RNA 和蛋白质折叠路径对施加力的精确方式的依赖性。应用程序还有
计划探索泛素在拥挤颗粒存在下的机械稳定性。关于细胞粘附分子 PSelectin 和配体之间的复合物响应的工作旨在提供低力下复合物寿命异常增强的分子细节。我们的研究将形成一个解释各种单分子实验的全球框架,并将证明对于设计可探测生物物理过程的新实验至关重要
在细胞条件下。所提出的研究预计将在概念上取得进展并应用于许多前沿问题,这将导致我们对生物分子对力的反应的理解取得重大进展,这对于许多体外和体内问题至关重要。
公共卫生相关性:了解 RNA 和蛋白质如何折叠和相互作用是描述其功能的关键。拟议的研究将从分子角度解释这些过程在单分子水平上的潜在机制。这些研究将使我们深入了解与错误折叠相关的疾病以及细胞粘附蛋白对炎症和组织损伤反应的生物物理学基础。
项目成果
期刊论文数量(0)
专著数量(0)
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DEVARAJAN THIRUMALAI其他文献
DEVARAJAN THIRUMALAI的其他文献
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{{ truncateString('DEVARAJAN THIRUMALAI', 18)}}的其他基金
Computational approaches to single molecule force spectroscopy
单分子力谱的计算方法
- 批准号:
8120754 - 财政年份:2010
- 资助金额:
$ 30万 - 项目类别:
Computational approaches to single molecule force spectroscopy
单分子力谱的计算方法
- 批准号:
8719581 - 财政年份:2010
- 资助金额:
$ 30万 - 项目类别:
Computational approaches to single molecule force spectroscopy
单分子力谱的计算方法
- 批准号:
8534179 - 财政年份:2010
- 资助金额:
$ 30万 - 项目类别:
Computational approaches to single molecule force spectroscopy
单分子力谱的计算方法
- 批准号:
8300788 - 财政年份:2010
- 资助金额:
$ 30万 - 项目类别:
Computational approaches to single molecule force spectroscopy
单分子力谱的计算方法
- 批准号:
8708110 - 财政年份:2010
- 资助金额:
$ 30万 - 项目类别:
Computational Approaches to Single Molecule Force Spectroscopy
单分子力谱的计算方法
- 批准号:
9922902 - 财政年份:2010
- 资助金额:
$ 30万 - 项目类别:
MOLECULAR DYNAMICS SIMULATIONS FOR PROTEIN AGGREGATION
蛋白质聚集的分子动力学模拟
- 批准号:
7723280 - 财政年份:2008
- 资助金额:
$ 30万 - 项目类别:
MOLECULAR DYNAMICS SIMULATIONS FOR PROTEIN AGGREGATION
蛋白质聚集的分子动力学模拟
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7601543 - 财政年份:2007
- 资助金额:
$ 30万 - 项目类别:
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7181793 - 财政年份:2004
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$ 30万 - 项目类别:
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