Molecular render representing ColabDock

ColabDock

Restraint-guided protein-protein docking with AlphaFold2

ColabDock predicts protein-protein complex structures using an AlphaFold2-based network guided by user-provided restraints from crosslinking, mutagenesis or low-resolution experiments. It inverts the predictor into a docking optimizer that respects sparse structural constraints. Useful when unrestrained docking cannot discriminate between alternative interfaces.

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At a glance

Input
Sequences plus restraints (FASTA)
Output
Complex structure (PDB)
Developed by
Peking University
Published
Feng et al., Nature Machine Intelligence 2024 · 2024
#docking#restraints#alphafold