PoseView
PoseView automatically generates two-dimensional diagrams of complexes with a focus on the interaction pattern between ligand and protein. Interactions between the molecules are estimated by a built-in interaction model that is based on atom types and simple geometric criteria. The quality of the resultant diagrams is comparable to hand-drawn examples from textbooks and scientific publications.
PoseView @ PDB
Publikationen
- Stierand, K., Rarey, M. (2010) Drawing the PDB - Protein-Ligand Complexes in two Dimensions . Medicinal Chemistry Letters, 1(9):540-545.
- Stierand, K., Rarey, M. (2007) From Modeling to Medicinal Chemistry: Automatic generation of two-dimensional complex diagrams . ChemMedChem, 2(6):853-860.
- Stierand, K., Maaß, P. C., Rarey, M. (2006) Molecular Complexes at a Glance: Automated Generation of two-dimensional Complex Diagrams . Bioinformatics, 22(14):1710-1716.