DogSiteScorer is an automated pocket detection and analysis tool which can be used for druggability assessment.
HYDE is a method to estimate hydrogen bonds, dehydration and the hydrophobic effect of protein-ligand complexes.
PoseView automatically generates 2D diagrams of complexes focussing on the ligand and protein interaction pattern.
PPI Prediction Server classifies a protein-protein complex into permanent, transient or crystal artifact.
Recore can be used for the replacement of parts of molecules by geometrically fitting fragments (interactive rescaffolding).
The SMARTSviewer provides a visualization for SMARTS strings based on structure diagrams known from standard molecule visualization.
The SMARTSeditor is a graphic editing tool for generic chemical patterns which are then converted into SMARTS strings.
FTrees (Feature Trees) is a molecular descriptor enabling scaffold hopping and combinatorial searching in fragment spaces .
NAOMI is a command-line tool for the consistent conversion of common chemical file formats (SDF, SMILES, MOL2).
The SMARTS Dataset contains several hundred chemical patterns and matching molecules for the evaluation and benchmarking of substructure matching algorithms.
ProToss is a fully automated hydrogen prediction tool for protein-ligand complexes.
RAISE is a rapid index-based screening engine enabling highly efficient screening of large amounts of data.