Bijvoet Center for Biomolecular Research, Faculty of Science Department of Chemistry, Utrecht University, Domplein 29, 3512 JE Utrecht, the Netherlands.
Centre National de la Recherche Scientifique Laboratoire d'Informatique pour la Mécanique et les Sciences de l'Ingénieur, rue John Von Neumann, 91403 Orsay, France.
J Mol Biol. 2016 Feb 22;428(4):720-725. doi: 10.1016/j.jmb.2015.09.014. Epub 2015 Sep 26.
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.
生物大分子四级结构的预测对于深入了解细胞过程和药物设计至关重要。在整合结构生物学时代,提高用于预测生物分子复合物结构的建模方法准确性的一种方法是在该过程中尽可能多地包含实验或预测信息。这一直是我们信息驱动对接方法 HADDOCK 的核心。我们在此介绍 HADDOCK 门户的更新版本 2.2,它提供了新功能,例如支持混合分子类型、更多实验约束条件和改进的方案,所有这些都在用户友好的界面中。该门户拥有超过 6000 名注册用户和 108000 个服务作业,其中越来越多的作业是在网格资源上完成的,我们希望这次及时的升级将帮助该领域的社区解决重要的生物学问题,并进一步推动该领域的发展。非盈利用户可免费访问 HADDOCK2.2 网络服务器,网址为:http://haddock.science.uu.nl/services/HADDOCK2.2。