期刊
JOURNAL OF MOLECULAR BIOLOGY
卷 428, 期 4, 页码 720-725出版社
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jmb.2015.09.014
关键词
biomolecular docking; data-driven; hybrid modeling; protein complexes; grid computing
资金
- Netherlands Organization for Scientific Research (VICI) [700.96.442]
- Netherlands Organization for Scientific Research (ECHO) [711.011.009]
- European FP7 and H2020 e-Infrastructure grants (e-NMR) [213010]
- European FP7 and H2020 e-Infrastructure grants (WeNMR) [261572]
- European FP7 and H2020 e-Infrastructure grants (EGI-Engage grant) [654142]
- European FP7 and H2020 e-Infrastructure grants (INDIGO-DataCloud grant) [653549]
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. (C) 2015 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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