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 License. Users must provide appropriate credit when copying or redistributing its content by citing the author, title, source, and license.