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Publications for Relibase
A systematic analysis of atomic protein–ligand interactions in the PDB† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7md00381a
[…] ased design and optimization of drugs.Several approaches have been developed for large-scale analysis of protein–small molecule interactions, such as SuperStar, or the method implemented to build the Relibase database., PDBeMotif and the recently published PELIKAN are two examples of free tools that can search for patterns in large collections of protein–ligand interfaces. Structural interaction f […]
Mapping the 3D structures of small molecule binding sites
[…] l for probing the three-dimensional structural relationships between biological macromolecules [, ]. Tools that aim to provide an assessment of similarity between protein–ligand binding sites include Relibase, a database of known protein–ligand binding sites ; the sc-PDB, an annotated database of druggable binding sites from the PDB ; and the Pocketome, an encyclopedia of conformational ensemb […]
Domain based small molecule binding site annotation
[…] nger', and a link to the PDB file 1WJB, which is an NMR structure of the N-terminal domain of this protein with two bound zinc ions. However, no zinc binding sites are indicated in the record itself. Relibase  is able to provide small molecule binding site predictions for given query sequences based on interactions observed from PDB. However it makes no attempt to filter out biologically irrelev […]
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