"SGER: Merging Single Molecule Spectroscopy and Molecular Simulation".

这一SGER项目旨在将Pi Woodbury开发的单分子核小体动力学系统与一种在毫秒和更长时间尺度上模拟大分子系统动力学的新方法合并在一起。一般来说，单分子荧光光谱学缺乏可靠的理论方法来从观察到的动力学中提取基本的物理参数。核小体就是一个很好的例子。最近有几个实验室的出版物表明，单分子动力学的测量可以在核小体上进行。然而，除了对运动范围和频率的定性了解之外，几乎没有什么结论。需要一种理论模型来预测基于结构和热力学性质的随机单分子动力学。通过对比实验和仿真，本项目的工作是为了确定是否可以直接测试物理模型，细化关键参数。该项目由数学和物理科学局的物理司和化学司以及生物科学局的分子和细胞生物科学司共同资助。

This SGER project is designed to take the first steps in merging the single molecule nucleosome dynamics system developed by the PI Woodbury with a new approach to simulating the dynamics of large molecular systems on the millisecond and longer time scale. In general, single molecule fluorescence spectroscopy suffers from the lack of a solid theoretical approach to backing out fundamental physical parameters from observed dynamics. The nucleosome is a case in point. There are several recent publications from several laboratories showing that measurements of single molecule dynamics can be performed on nucleosomes. However, beyond a qualitative understanding of the range and frequency of motion, little can be concluded. What is needed is a theoretical model to predict stochastic single molecule dynamics based on structural and thermodynamic properties. By comparing experiment and simulation, the work in this project is designed to determine if it is possible to directly test the physical model, refining the key parameters. This project is jointly funded by the Division of Physics and the Division of Chemistry in the Mathematical and Physical Sciences Directorate and the Division of Molecular and Cellular Biosciences in the Directorate for Biological Sciences.