Molecular render representing GeoDock

GeoDock

Flexible protein-protein docking with multi-track transformers

GeoDock predicts protein-protein docking poses with a multi-track geometric transformer that iteratively refines rigid-body orientations while allowing limited backbone flexibility. It combines distance and coordinate supervision for robust interface modeling. Suitable for complexes where conformational change defeats rigid docking.

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At a glance

Input
Two protein structures (PDB)
Output
Docked complex (PDB)
Developed by
Johns Hopkins University
Published
Chu et al., Protein Science 2024 · 2022
#docking#transformer#flexibility