MES

  • (Minimal Ensemble Search) a genetic algorithm used to identify the minimal ensemble required to best fit experimental data. The simulations provide an ensemble of molecular models from which a SAXS curve is calculated and compared to the experimental curve. Written by Martin Pelikan and Michal Hammel at Lawrence Berkeley Laboratory.

Developers

Michal Hammel

Categories

SAXS

Versions

Citations

Bernadó et al. Structural characterization of flexible proteins using small-angle X-ray scattering. Journal of the American Chemical Society (2007) vol. 129 (17) pp. 5656-64

Pelikan et al. Structure and flexibility within proteins as identified through small angle X-ray scattering. General physiology and biophysics (2009) vol. 28 (2) pp. 174-89

License Type

This software is distributed under an Academic license.

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