Modellierung der Struktur und Dynamik von DNA jenseits atomarer Längen- und Zeitskalen

超越原子长度和时间尺度的 DNA 结构和动力学建模

• 批准号: 5210254
• 负责人: Professor Dr. Ralf Everaers
• 金额: --
• 依托单位: Laboratoire de Physique (UMR CNRS 5672)
• 依托单位国家: 德国
• 项目类别: Independent Junior Research Groups
• 财政年份: 1999
• 资助国家: 德国
• 起止时间: 1998-12-31 至 2002-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/5210254?language=en
• 关键词: Modellierung; der; Struktur; und; Dynamik

The properties of DNA play an important role for its function. Our project aims at understanding the response of DNA to mechanical forces as they are exerted by binding enzymes. Covering in computer simulations the wide range of possible time scales requires the design of a hierarchy of coarse-grained models which capture the relevant dynamic processes in the different time windows. Scaling arguments are particularly valuable for rationalizing the results and guiding the modeling.The present project aims at (i) creating a hierarchy of DNA models on different length scales which are linked by a systematic coarse-graining procedure, allowing to move up and down the various levels as required and to simulate different parts of the molecule with different resolution, and (ii) using this model for a systematic study of the dynamic response of DNA to forces which are large enough to alter the local structure.

DNA的性质对其功能起着重要的作用。我们的项目旨在了解DNA在结合酶作用下对机械力的反应。在计算机模拟中覆盖广泛的可能的时间尺度需要设计一个粗粒度模型的层次结构来捕捉不同时间窗口中的相关动态过程。本项目的目标是(I)创建不同长度尺度的DNA模型的层次结构，这些模型通过系统的粗粒化过程连接在一起，允许根据需要在不同的级别上上下移动，并以不同的分辨率模拟分子的不同部分，以及(Ii)使用该模型系统地研究DNA对足够大的力的动态响应，这些力足以改变局部结构。