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

Arizona State University, Scottsdale AZ

Investigators

Abstract

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.