| Literature DB >> 26410586 |
G C P van Zundert1, J P G L M Rodrigues1, M Trellet2, C Schmitz3, P L Kastritis4, E Karaca4, A S J Melquiond5, M van Dijk6, S J de Vries7, A M J J Bonvin1.
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.Entities:
Keywords: biomolecular docking; data-driven; grid computing; hybrid modeling; protein complexes
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Year: 2015 PMID： 26410586 DOI： 10.1016/j.jmb.2015.09.014
Source DB: PubMed Journal: J Mol Biol ISSN： 0022-2836 Impact factor: 5.469