Description of Protein-DNA Complexes in Terms of Electron-Density Topological Features

A. Becue, N. Meurice, Laurence Leherte, D.P. Vercauteren

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This paper presents a computer-modelling approach for the generation of low-resolution representations of two protein-DNA complexes, NF-κB and HIF-1. The representation is obtained by topological analysis of electron-density maps at 2.85 A crystallographic resolution, which leads to a set containing a limited number of critical points (CP). Analyses of the structure and properties of the CP graphs (density at peak position, volume and ellipticity), as well as comparisons with other reduced representations, are performed in order to assess the usefulness of such representations in molecular-docking applications at medium resolution.
langue originaleAnglais
Pages (de - à)2150-2162
Nombre de pages13
journalActa crystallographica. Section D: Biological crystallography
Numéro de publication12
Les DOIs
Etat de la publicationPublié - 1 déc. 2003

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