Theoretical Studies On The Dynamic Aspects Of Macromolec

高分子动态方面的理论研究

• 批准号: 6673404
• 负责人: Attila Szabo
• 金额: --
• 依托单位: NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES
• 依托单位国家: 美国
• 资助国家: 美国
• 起止时间: 至
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/6673404
• 关键词: atomic force microscopy; calmodulin; chemical association; chemical kinetics; chemical models; chemical structure function; computer simulation; conformation; diffusion; ligands; macromolecule; mathematical model; membrane channels; micromanipulator; molecular dynamics; nanotechnology; nuclear magnetic resonance spectroscopy; photochemistry; thermodynamics

In this reporting period, papers dealing with the following projects appeared in print or are in press: (1)The kinetics of reversible diffusion influenced reactions (2) Asymptotic relaxation of reversible bimolecular chemical reactions (3) The concentration dependance of the diffusion controlled steady state rate constant (4)The effects of chain stiffness on the dynamics of loop formation in polypeptides and (5) the statistics of transitions in single molecule kinetics. The first three papers deal with various aspects of the role of diffusion in chemical reaction dynamics. The first paper is the culmination of a project started over ten years ago. For all practical purposes it solves the problem of calculating the time course of reversible diffusion influenced reations with arbitrary stoichiometry. In the coming years we hope to collaborate with experimetallist to analyze their kinetic data using our theory. The fourth paper is a collaboration with the Eaton-Hofrichter group on the kinetics of contact formation in polypeptides. This is an elementary step in protein folding and consequently of great current interest. My contibution was to develop the theoretical framework that was used to analyse their experiments.The final paper deals with the theory required to interpret fluorescence resonance energy transfer experiments on protein folding. In these experiments the number of photons emitted by a donor and an acceptor are monitoried. These contain structural information because the efficiency of energy transfer between tne donor and acceptor depend on the distance between them. Given an arbitrary kinetic scheme we showed how to calculate the probability distribution of number of photons emitted during a fixed time window. This work should prove useful in exracting the underlying kinetic mechanism from experiments.

在本报告所述期间，有关下列项目的文件已经印发或正在印刷：（1）可逆扩散影响反应的动力学（2）可逆双分子化学反应的渐近松弛（3）扩散控制的稳态速率常数的浓度依赖性（4）链刚度对多肽中环形成动力学的影响（5）单分子动力学中跃迁的统计。前三篇论文涉及扩散在化学反应动力学中的作用的各个方面。第一篇论文是十多年前开始的一个项目的高潮。对于所有的实用目的，它解决了计算具有任意化学计量的可逆扩散影响反应的时间过程的问题。在未来的几年里，我们希望与experimetalist合作，用我们的理论分析他们的动力学数据。第四篇论文是与伊顿-霍夫里希特小组合作研究多肽接触形成的动力学。这是蛋白质折叠的基本步骤，因此引起了当前的极大兴趣。我的贡献是发展的理论框架，用于分析他们的实验。最后的论文涉及的理论需要解释荧光共振能量转移实验蛋白质折叠。在这些实验中，由施主和受主发射的光子数被监测。这些包含结构信息，因为供体和受体之间的能量转移效率取决于它们之间的距离。给出了一个任意的动力学方案，我们展示了如何计算在固定的时间窗口内发射的光子数的概率分布。这项工作应证明是有用的exracting潜在的动力学机制从实验。