FRODOCK is able to generates very efficiently many potential predictions of how two proteins could interact. This approximation effectively address the complexity and sampling requirements of the initial 6D docking exhaustive search by combining the projection of the interaction terms into 3D grid-based potentials with the efficiency of spherical harmonics approximations. The binding energy upon complex formation is approximated as a correlation function composed of van der Waals, electrostatics and desolvation potential terms. This initial stage exhaustive docking obtain excellent accuracy results with standard benchmarks, thus you can use it directly as a first protein-protein rigid-body docking approach.
- Windows / Linux
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J. I. Garzon, J. R. Lopéz-Blanco, C. Pons, J. Kovacs, R. Abagyan, J. Fernandez-Recio, P. Chacón (2009)
FRODOCK: a new approach for fast rotational protein-protein docking
Bioinformatics, 25, 2544-2551