ProteinsPlus
A web service for the analysis and processing of protein-ligand complexes. The service covers a wide range of search capabilities, visualization and computing tools for protein structure-based research in early-phase drug discovery, agro-chemistry, biotechnology and the life sciences in general. The web service is visual and self-explanatory, having over 800,000 page requests per year. All services are also available via REST calls, many of them also as standalone tools for local installation, for example for batch processing large data collections.
| ProteinsPlus | Web portal for protein structure-based life science research. It comprises services like protein protonation, quantification of electron density support, binding site and druggability prediction as well as several search capabilities. |
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| Protoss | Tool for fully automated hydrogen assignment for protein structures covering protein-ligand complexes including the prediction of protonation states, charges, tautomeric forms, hydrogen orientation, and polar terminal group orientation (web service only) |
| DoGSite | Toolset (DoGSite3/DoGSiteScorer) for the prediction of small molecule binding sites in proteins including their geometrical and physicochemical characterization and druggability estimation (web service and standalone). |
| PoseView/Edit | Tool for the creation of 2D pose diagrams for protein-ligand complexes including a full chemistry-aware graphical editor (web service only). |
| SIENA | Tool for the fully automated generation of protein structure ensembles focusing on small molecule binding sites considering sequence and structure similarity and diversity (web service and standalone). |
| HyPPI | Tool for the classification of protein-protein interfaces into transient, permanent, and crystal artefacts (web service only) |
| EDIA | Tool for evaluating the electron density support for individual atoms in protein structure models including protein-ligand complexes (web service and standalone). |
| METALizer | Tool for analyzing metal complex coordination geometries in protein-ligand interfaces (web service only). |
| AcivityFinder | Tool for associating PDB structures to ChEMBL targets and small molecule bioactivity values (alpha version, web service only). |
| LifeSoaks | Tool for analyzing channels in protein crystals relevant for soaking experiments like X-ray-based fragment screening (web service and standalone). |
| WarPP | Tool for the prediction of water molecule sites in the proximity of protein-ligand complexes (web service only). |
| StructureProfiler | Tool for the evaluation of protein-ligand complexes with respect to multiple quality criteria relevant for docking and modeling applications (web service and standalone). |
| GeoMine | Tool for generating and precisely searching geometric patterns and spatial arrangements in protein-ligand complexes of the PDB (web service only). |
| JAMDA | Tool chain for fully automated protein-ligand docking (web service and standalone). |
| MicroMiner | Tool for searching microenvironments of individual amino acids in protein structures for mutation analysis and mutation structure prediction (web service and standalone). |
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