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HADDOCK versus HADDOCK: New features and performance of HADDOCK2.0 on the CAPRI targets
Open accessAbstract
Here we present version 2.0 of HADDOCK, which incorporates considerable improvements and new features. HADDOCK is now able to model not only protein–protein complexes but also other kinds of biomolecular complexes and multi‐component (N > 2) systems. In the absence of any experimental and/or predicted information to drive the docking, HADDOCK now offers two additional ab initio docking modes based on either random patch definition or center‐of‐mass restraints. The docking protocol has been considerably improved, supporting among other solvated docking, automatic definition of semi‐flexible regions, and inclusion of a desolvation energy term in the scoring scheme. The performance of HADDOCK2.0 is evaluated on the targets of rounds 4‐11, run in a semi‐automated mode using the original information we used in our CAPRI submissions. This enables a direct assessment of the progress made since the previous versions. Although HADDOCK performed very well in CAPRI (65% and 71% success rates, overall and for unbound targets only, respectively), a substantial improvement was achieved with HADDOCK2.0. Proteins 2007. © 2007 Wiley‐Liss, Inc.
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van Zundert, G. C. P., Rodrigues, J. P. G. L. M., Trellet, M., Schmitz, C., Kastritis, P. L., Karaca, E., Melquiond, A. S. J., van Dijk, M., de Vries, S. J., & Bonvin, A. M. J. J. (2016) · Journal of Molecular Biology · doi:10.1016/j.jmb.2015.09.014 · Cited by 2,785
Self-citationSequence co-evolution gives 3D contacts and structures of protein complexes
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Metadata
- Authors
- de Vries, S. J., van Dijk, A. D. J., Krzeminski, M., van Dijk, M., Thureau, A., Hsu, V., Wassenaar, T., & Bonvin, A. M. J. J.
- Venue
- Proteins: Structure, Function, and Bioinformatics
- Publisher
- Wiley
- Published
- 2007-10-31
- Volume
- 69
- Issue
- 4
- Pages
- 726-733
- ISSN
- 0887-3585 (ISSN-L)
- 1097-0134
- OpenAlex
- W2030728145
- Cited by
- 556
- References
- 3
- FWCI
- 11.37
- Type
- journal article
- Language
- en
- Open access
- green
- Funders
- Netherlands Organization for Scientific Research (700.56.442)
- European Community (LSHG-CT-2005-018988)
- FP6 STREP “BacAbs” (LSHB-CT-2006-037325)
- Integrated Project SPINE2-COMPLEX (031220)
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- de Vries, S. J., van Dijk, A. D. J., Krzeminski, M., van Dijk, M., Thureau, A., Hsu, V., Wassenaar, T., & Bonvin, A. M. J. J. (2007). HADDOCK versus HADDOCK: New features and performance of HADDOCK2.0 on the CAPRI targets. Proteins: Structure, Function, and Bioinformatics. https://doi.org/10.1002/prot.21723
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