The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes

G C P van Zundert; João Garcia Lopes Maia Rodrigues; M Trellet; C Schmitz; P L Kastritis; E Karaca; A S J Melquiond; Marc van Dijk; S J de Vries; A M J J Bonvin

doi:10.1016/j.jmb.2015.09.014

The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes

G C P van Zundert, João Garcia Lopes Maia Rodrigues, M Trellet, C Schmitz, P L Kastritis, E Karaca, A S J Melquiond, Marc van Dijk, S J de Vries, A M J J Bonvin

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Research output: Contribution to journal › Article › Academic › peer-review

Abstract

The prediction of the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and drug design. In the era of integrative structural biology, one way of increasing the accuracy of modeling methods used to predict the structure of biomolecular complexes is to include as much experimental or predictive information as possible in the process. This has been at the core of our information-driven docking approach HADDOCK. We present here the updated version 2.2 of the HADDOCK portal, which offers new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface. With well over 6000 registered users and 108,000 jobs served, an increasing fraction of which on grid resources, we hope that this timely upgrade will help the community to solve important biological questions and further advance the field. The HADDOCK2.2 Web server is freely accessible to non-profit users at http://haddock.science.uu.nl/services/HADDOCK2.2.

Original language	English
Pages (from-to)	720-725
Number of pages	6
Journal	Journal of Molecular Biology
Volume	428
Issue number	4
DOIs	https://doi.org/10.1016/j.jmb.2015.09.014
Publication status	Published - 22 Feb 2016

Keywords

biomolecular docking
data-driven
hybrid modeling
protein complexes
grid computing

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van Zundert, G. C. P., Garcia Lopes Maia Rodrigues, J., 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). The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes. Journal of Molecular Biology, 428(4), 720-725. https://doi.org/10.1016/j.jmb.2015.09.014

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abstract = "The prediction of the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and drug design. In the era of integrative structural biology, one way of increasing the accuracy of modeling methods used to predict the structure of biomolecular complexes is to include as much experimental or predictive information as possible in the process. This has been at the core of our information-driven docking approach HADDOCK. We present here the updated version 2.2 of the HADDOCK portal, which offers new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface. With well over 6000 registered users and 108,000 jobs served, an increasing fraction of which on grid resources, we hope that this timely upgrade will help the community to solve important biological questions and further advance the field. The HADDOCK2.2 Web server is freely accessible to non-profit users at http://haddock.science.uu.nl/services/HADDOCK2.2.",

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AU - Schmitz, C

AU - Kastritis, P L

AU - Karaca, E

AU - Melquiond, A S J

AU - van Dijk, Marc

AU - de Vries, S J

AU - Bonvin, A M J J

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The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes

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Keywords

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