Ontology highlight
ABSTRACT:
SUBMITTER: Shang Z
PROVIDER: S-EPMC3577369 | biostudies-literature | 2012 Oct
REPOSITORIES: biostudies-literature
Shang Zhiguo Z Sigworth Fred J FJ
Journal of structural biology 20120517 1
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 the protein-water system. In this paper we adapt the ideas of bulk-water modeling that are used in the refinement of X-ray crystal structures ...[more]