README.md

HADDOCKer

Colby T. Ford, Ph.D., Rafael Jaimes III, Ph.D., and Jonathan Halter

Docker images for the running the HADDOCK (High Ambiguity Driven protein-protein DOCKing) system to predict the structure of biomolecular complexes.

HADDOCK 2.4	HADDOCK 3

Licensing

This container images in this repository includes software libraries that each require a license (and may limit use to non-profit/academic work). Please check the licenses and/or fill out the following license request forms before using this software:

• HADDOCK:
  • v2.4: https://www.bonvinlab.org/software/haddock2.4/download
  • v3: https://github.com/haddocking/haddock3
• CNSsolve 1.3: http://cns-online.org/v1.3/

Citations

• R.V. Honorato, P.I. Koukos, B. Jimenez-Garcia, A. Tsaregorodtsev, M. Verlato, A. Giachetti, A. Rosato and A.M.J.J. Bonvin (2021). "Structural biology in the clouds: The WeNMR-EOSC Ecosystem." Frontiers Mol. Biosci., 8, fmolb.2021.729513.
• G.C.P van Zundert, J.P.G.L.M. Rodrigues, M. Trellet, C. Schmitz, P.L. Kastritis, E. Karaca, A.S.J. Melquiond, M. van Dijk, S.J. de Vries and A.M.J.J. Bonvin (2016). "The HADDOCK2.2 webserver: User-friendly integrative modeling of biomolecular complexes." J. Mol. Biol., 428, 720-725 (2015).
• Dominguez, C., Boelens, R. & Bonvin, A. M. J. J. HADDOCK: a protein-protein docking approach based on biochemical or biophysical information. J Am Chem Soc, 125, 1731–1737 (2003).