Theoretical Analysis of Protein Search for Targets on DNA Using Discrete-State Stochastic Framework

使用离散状态随机框架对 DNA 上的蛋白质搜索进行理论分析

• 批准号: 1360979
• 负责人: Anatoly Kolomeisky
• 金额: $ 42万
• 依托单位: William Marsh Rice University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-07-01 至 2018-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1360979&HistoricalAwards=false
• 关键词: Theoretical; Analysis; Protein; Search; Targets

Anatoly Kolomeisky of Rice University is supported by an award from the Chemical Theory, Models and Computational Methods Program in the Chemistry Division to develop theoretical approaches to understand how proteins and DNA, the most important molecules in all living systems, interact with each other in supporting fundamental processes of life. Analyzing these processes at the molecular level requires novel theoretical and computational tools that are capable of describing the complexity of living systems. The project involves close collaboration with experimental research groups. High school students, undergraduates and graduate students, and postdoctoral associates participate in the research and receive invaluable training in an important and timely field. The project focuses on developing a fundamental theoretical framework for uncovering microscopic mechanisms of protein search for specific target sites on DNA molecules. The role of various physical and chemical properties of DNA and proteins in these phenomena are tested using a combination of discrete-stochastic models and simulation techniques. The theoretical predictions are tested using single-molecule spectroscopic studies, chemical kinetic experiments and advanced bioinformatics methods. An outreach program developed by Professor Kolomeisky for local high-school students provides the opportunity for them to learn and participate in real scientific work in an academic setting. The broader impacts of this project include a multi-disciplinary training program for young researchers of different levels that will prepare them better for future technological and industrial challenges. In addition, the outreach program promotes advancements in our understanding of cellular processes that may lead to new medical drugs and bio-inspired materials.

赖斯大学的Anatoly kolomeisky得到了化学理论，模型和计算方法计划的奖项，以开发理论方法，以了解所有生命系统中最重要的分子如何在支持基本生命过程中相互互动的蛋白质和DNA如何相互作用。在分子水平上分析这些过程需要能够描述生活系统复杂性的新型理论和计算工具。该项目涉及与实验研究小组的密切合作。高中生，本科生和研究生，以及博士后员工参加了研究，并在重要而及时的领域接受了宝贵的培训。该项目着重于开发一个基本理论框架，以发现蛋白质搜索DNA分子上特定靶位点的微观机制。 DNA和蛋白质在这些现象中的各种物理和化学特性的作用是使用离散模型和仿真技术的组合来测试的。 使用单分子光谱研究，化学动力学实验和先进的生物信息学方法对理论预测进行了测试。由Kolomeisky教授针对当地高中生开发的外展计划为他们提供了学习和参与学术环境中真正的科学工作的机会。该项目的更广泛影响包括针对不同级别的年轻研究人员的多学科培训计划，这将为未来的技术和工业挑战做好准备。 此外，外展计划还促进了我们对可能导致新医疗药物和生物启发材料的细胞过程的理解的进步。