| Popis: |
Dynamic supramolecular assemblies are central to many biological functions, from the processing of genetic information to sensing and signaling. Structural and functional studies face enormous challenges associated with large molecular sizes, transient interactions, extensive motions, and partial disorder. To overcome these problems, we combine simulation and theory with experiment. In our coarse-grained simulation approach, we use ensemble refinement techniques that allow us to integrate data from diverse experiments, including X-ray crystallography, small-angle X-ray scattering (SAXS), spin-label distance measurements (EPR), single-molecule fluorescence energy transfer (FRET), paramagnetic relaxation enhancement (PRE), nuclear magnetic resonance (NMR), and single-particle cryo electron microscopy (cryo-EM). The combination of simulation and experiment allows us to build ensemble representations of the dynamic structures of protein supercomplexes and gain insight into their function. |
