Lien vers Pubmed [PMID] – 38917415
Lien DOI – 10.1093/bioinformatics/btae414
Bioinformatics 2024 Jul; 40(7):
Protein Interaction Explorer (PIE) is a new web-based tool integrated to our database iPPI-DB, specifically crafted to support structure-based drug discovery initiatives focused on protein-protein interactions (PPIs). Drawing upon extensive structural data encompassing thousands of heterodimer complexes, including those with successful ligands, PIE provides a comprehensive suite of tools dedicated to aid decision-making in PPI drug discovery. PIE enables researchers/bioinformaticians to identify and characterize crucial factors such as the presence of binding pockets or functional binding sites at the interface, predicting hot spots, and foreseeing similar protein-embedded pockets for potential repurposing efforts.PIE is user-friendly and readily accessible at https://ippidb.pasteur.fr/targetcentric/. It relies on the NGL visualizer.