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visualize protein-ligand complexes in 2D |
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automatically generate publication-quality graphics |
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export to a variety of graphics formats |
PoseView automatically generates high-quality 2D structure-diagrams of protein-ligand complexes provided as 3D-input. Such input may come directly from crystal structures or be computed for example by a docking program.
The 2D depiction shows hydrogen bonds as dashed lines between the interaction partners on either side. Hydrophobic interactions are illustrated as smooth contour lines between the respective amino acids and the ligand. The ligand itself is drawn utilizing the 2Ddraw engine according to chemical drawing conventions.
To get a deeper insight into the underlying machinery and the scientific challenges hidden by an easy-to-use front end, please visit poseview.zbh.uni-hamburg.de and/or consult the original scientific publication:
Katrin Stierand and Matthias Rarey
From Modeling to Medicinal Chemistry: Automatic Generation of Two-Dimensional Complex Diagrams
ChemMedChem (2007), 2, 853 - 860.
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