Multi-Timescale Conformational Dynamics of the SH3 Domain of CD2-Associated Protein using NMR Spectroscopy and Accelerated Molecular Dynamics

摘要

The determination of three-dimensional atomic resolution protein structure underpins our understanding of many biological processes, providing descriptions of the molecular basis of physiologically important interactions between biochemically active molecules. However, a complete understanding of the relationship between biological activity and molecular conformation also requires a description of the thermally accessible potential energy landscape intrinsic to a protein at its physiological temperature.