CIDDR Lab

Fragment Docking

Fragment Linking

GenFBDD is a web-based FBDD protocol with a multi-stage “Dock-Link-ReDock” framework, which mirrors the core stages of FBDD and aligns with its fundamental principles. In the Dock stage, a library of structurally and functionally diverse fragments is docked to the target protein. The Link stage begins with the identification of hotspots through clustering of docked fragments. Then docked fragments were connected to form novel, drug-like molecules. In the final ReDock stage, the newly generated molecules are re-docked into the target protein to refine their binding poses.

GenFBDD is freely available under the Creative Commons Attribution 4.0 International LicenseUsers must provide appropriate credit when copying or redistributing its content by citing the author, title, source, and license.