Consistent two-dimensional visualization of protein-ligand complex series.

ABSTRACT:

Background

The comparative two-dimensional graphical representation of protein-ligand complex series featuring different ligands bound to the same active site offers a quick insight in their binding mode differences. In comparison to arbitrary orientations of the residue molecules in the individual complex depictions a consistent placement improves the legibility and comparability within the series. The automatic generation of such consistent layouts offers the possibility to apply it to large data sets originating from computer-aided drug design methods.

Results

We developed a new approach, which automatically generates a consistent layout of interacting residues for a given series of complexes. Based on the structural three-dimensional input information, a global two-dimen

SUBMITTER: Stierand K 

PROVIDER: S-EPMC3224603 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature