A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community) [version 1; peer review: 1 approved, 3 approved with reservations]
Christine Orengo,
Sameer Velankar,
Shoshana Wodak,
Vincent Zoete,
Alexandre M.J.J. Bonvin,
Arne Elofsson,
K. Anton Feenstra,
Dietland L. Gerloff,
Thomas Hamelryck,
John M. Hancock,
Manuela Helmer-Citterich,
Adam Hospital,
Modesto Orozco,
Anastassis Perrakis,
Matthias Rarey,
Claudio Soares,
Joel L. Sussman,
Janet M. Thornton,
Pierre Tuffery,
Gabor Tusnady,
Rikkert Wierenga,
Tiina Salminen,
Bohdan Schneider
Affiliations
Christine Orengo
Structural and Molecular Biology Department, University College, London, UK
Sameer Velankar
Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Hinxton, CB10 1SD, UK
Shoshana Wodak
VIB-VUB Center for Structural Biology, Brussels, Belgium
Vincent Zoete
Department of Oncology, Lausanne University, Swiss Institute of Bioinformatics, Lausanne, Switzerland
Alexandre M.J.J. Bonvin
Bijvoet Center, Faculty of Science – Chemistry, Utrecht University, Utrecht, 3584CH, The Netherlands
Arne Elofsson
Science for Life Laboratory, Stockholm University, Solna, S-17121, Sweden
K. Anton Feenstra
Dept. Computer Science, Center for Integrative Bioinformatics VU (IBIVU), Vrije Universiteit, Amsterdam, 1081 HV, The Netherlands
Dietland L. Gerloff
Luxembourg Centre for Systems Biomedicine, University of Luxembourg, Belvaux, L-4367, Luxembourg
Thomas Hamelryck
Bioinformatics center, Department of Biology, University of Copenhagen, Copenhagen, DK-2200, Denmark
John M. Hancock
ELIXIR Hub, ELIXIR, Hinxton, UK
Manuela Helmer-Citterich
Department of Biology, University of Rome Tor Vergata, Rome, I-00133, Italy
Adam Hospital
Institute for Research in Biomedicine, The Barcelona Institute of Science and Technology, Barcelona, 08028, Spain
Modesto Orozco
Institute for Research in Biomedicine, The Barcelona Institute of Science and Technology, Barcelona, 08028, Spain
Anastassis Perrakis
Netherlands Cancer Institute and Oncode Institute, Utrecht, The Netherlands
Matthias Rarey
ZBH - Center for Bioinformatics, Universität Hamburg, Hamburg, D-20146, Germany
Claudio Soares
Instituto de Tecnologia Química e Biológica Antonio Xavier, Universidade Nova de Lisboa, Lisbon, Portugal
Joel L. Sussman
Department of Structural Biology, Weizmann Institute of Science, Rehovot, 76100, Israel
Janet M. Thornton
European Molecular Biology Laboratory, European Bioinformatics Institute, Hinxton, CB10 1SD, UK
Pierre Tuffery
Ressource Parisienne en Bioinformatique Structurale, Université de Paris, Paris, F-75205, France
Gabor Tusnady
Membrane Bioinformatics Research Group, Institute of Enzymology, Budapest, H-1117, Hungary
Rikkert Wierenga
FBMM, Biocenter Oulu, University of Oulu, Oulu, Finland
Tiina Salminen
Structural Bioinformatics Laboratory, Åbo Akademi University, Turku, FI-20500, Finland
Bohdan Schneider
Institute of Biotechnology of the Czech Academy of Sciences, Vestec, CZ-25250, Czech Republic
Structural bioinformatics provides the scientific methods and tools to analyse, archive, validate, and present the biomolecular structure data generated by the structural biology community. It also provides an important link with the genomics community, as structural bioinformaticians also use the extensive sequence data to predict protein structures and their functional sites. A very broad and active community of structural bioinformaticians exists across Europe, and 3D-Bioinfo will establish formal platforms to address their needs and better integrate their activities and initiatives. Our mission will be to strengthen the ties with the structural biology research communities in Europe covering life sciences, as well as chemistry and physics and to bridge the gap between these researchers in order to fully realize the potential of structural bioinformatics. Our Community will also undertake dedicated educational, training and outreach efforts to facilitate this, bringing new insights and thus facilitating the development of much needed innovative applications e.g. for human health, drug and protein design. Our combined efforts will be of critical importance to keep the European research efforts competitive in this respect. Here we highlight the major European contributions to the field of structural bioinformatics, the most pressing challenges remaining and how Europe-wide interactions, enabled by ELIXIR and its platforms, will help in addressing these challenges and in coordinating structural bioinformatics resources across Europe. In particular, we present recent activities and future plans to consolidate an ELIXIR 3D-Bioinfo Community in structural bioinformatics and propose means to develop better links across the community. These include building new consortia, organising workshops to establish data standards and seeking community agreement on benchmark data sets and strategies. We also highlight existing and planned collaborations with other ELIXIR Communities and other European infrastructures, such as the structural biology community supported by Instruct-ERIC, with whom we have synergies and overlapping common interests.