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

莱斯大学的阿纳托利·科洛梅斯基 (Anatoly Kolomeisky) 获得了化学系化学理论、模型和计算方法项目的奖项支持，致力于开发理论方法来理解蛋白质和 DNA（所有生命系统中最重要的分子）如何相互作用以支持生命的基本过程。在分子水平上分析这些过程需要能够描述生命系统的复杂性的新颖的理论和计算工具。该项目涉及与实验研究小组的密切合作。高中生、本科生、研究生以及博士后参与研究，并在一个重要而及时的领域接受宝贵的培训。该项目的重点是开发一个基本的理论框架，以揭示蛋白质搜索 DNA 分子上特定靶位点的微观机制。 DNA 和蛋白质的各种物理和化学特性在这些现象中的作用是通过离散随机模型和模拟技术的组合来测试的。 理论预测通过单分子光谱研究、化学动力学实验和先进的生物信息学方法进行了测试。 Kolomeisky 教授为当地高中生制定了一项外展计划，为他们提供了在学术环境中学习和参与真正科学工作的机会。该项目更广泛的影响包括为不同级别的年轻研究人员提供多学科培训计划，帮助他们更好地应对未来的技术和工业挑战。 此外，外展计划促进了我们对细胞过程的理解的进步，这可能会导致新的医疗药物和仿生材料的产生。

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.