Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
Predicting off-targets by computational methods is getting increasing importance in early drug discovery stages.
Predicting off-targets by computational methods is getting increasing importance in early drug discovery stages.
Quantification of local similarity between protein 3D structures is a promising tool in computer-aided drug design and prediction of biological function.
A novel method to measure distances between druggable protein cavities is presented.
The sc-PDB is a collection of 6 415 three-dimensional structures of binding sites found in the Protein Data Bank (PDB).