Simulation vs. reality: a comparison of in silico distance predictions with DEER and FRET measurements.

ABSTRACT: Site specific incorporation of molecular probes such as fluorescent- and nitroxide spin-labels into biomolecules, and subsequent analysis by Förster resonance energy transfer (FRET) and double electron-electron resonance (DEER) can elucidate the distance and distance-changes between the probes. However, the probes have an intrinsic conformational flexibility due to the linker by which they are conjugated to the biomolecule. This property minimizes the influence of the label side chain on the structure of the target molecule, but complicates the direct correlation of the experimental inter-label distances with the macromolecular structure or changes thereof. Simulation methods that account for the conformational flexibility and orientation of the probe(s) can be helpful in overcoming this p

SUBMITTER: Klose D 

PROVIDER: S-EPMC3382601 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature