May 2, 2022, midnight
BioGPS 22.01 released
We are pleased to announce the release of BioGPS 22.01, for drug-repurposing, off-targeting prediction, ligand selectivity and many other applications.
BioGPS enables pocket-pocket comparison by aligning the sites and directly comparing the Molecular Interaction Fields. Chemometric approaches are included to reduce the complexity of the resulting data on large datasets, enabling users to focus on the most relevant information.
BioGPS comes with a curated database of ~800,000 pockets. Precomputed Molecular Interaction Fields (MIFs) are ready for large scale virtual screening, and pockets biological annotation (i.e. biochemical pathways) are useful for filtering dataset and results.
More info about BioGPS on the product page.