Hydration-layer models for cryo-EM image simulation.

Abstract

To compare cryo-EM images and 3D reconstructions with atomic structures in a quantitative way it is essential to model the electron scattering by solvent (water or ice) that surrounds protein assemblies. The most rigorous method for determining the density of solvating water atoms for this purpose has been to perform molecular-dynamics (MD) simulations of… (More)
DOI: 10.1016/j.jsb.2012.04.021

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