https://www.selleckchem.com/pr....oducts/Metformin-hyd
Identifying local similarities in binding sites from distant proteins is a major hurdle to rational drug design. We herewith present a novel method, borrowed from computer vision, adapted to mine fragment subpockets and compare them to whole ligand-binding sites. Pockets are represented by pharmacophore-annotated point clouds mimicking ideal ligands or fragments. Point cloud registration is used to find the transformation enabling an optimal overlap of points sharing similar topological and pharmacophoric nei
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