FRODOCK

The software tool 'FRODOCK' provides a new method for the prediction of protein-protein complexes from the coordinates of their unbound components. The method combines the projection of interaction terms into 3D grid-based potentials with the efficiency of spherical harmonics approximations to accelerate the search. The binding energy upon complex formation is approximated as a correlation function composed of van der Waals, electrostatics, and desolvation potential terms. Results obtained on standard protein-protein benchmarks demonstrate its general applicability and robustness. The accuracy is comparable to that of existing state-of-the-art initial exhaustive rigid-body docking tools, but achieving superior efficiency.