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de.NBI-SYSBIO
and
e:Bio SBGN-ED+
Dagmar Waltemath
SBI research seminar, February 2015
SEMS: Improving reproducibility of virtual experiments
using tools from database and information sciences
2
SEMS: Improving reproducibility of virtual experiments
using tools from database and information sciences
de.NBI-SYSBIO
SBGN-ED+
3
SEMS: Improving reproducibility of virtual experiments
using tools from database and information sciences
de.NBI-SYSBIO
4
de.NBI – German Network for
Bioinformatics Infrastructure
A German network of (1) specialised service units with outstanding
expertise in research areas within the life sciences, and (2) local
hubs for high-quality databases. [..]
de.NBI bundles these know-hows and secures the technical
equipment of the service units, as well as the continued
development of bioinformatics services and standards.
de.NBI furthermore develops concepts for long-term availability of
these services and resources.
5
de.NBI – German Network for
Bioinformatics Infrastructure
Leistungszentren
Lokale Datenressourcen
HD-HuB
DKFZ
BiGi
Bielefeld
Bioinfra Prot
Bochum
RBC
Freiburg
CiBi
Tübingen
GCBN
Gatersleben/
München
PANGAEA
Bremen
Datenbanken
SILVA
Bremen
Brenda
Braun-
schweig
DSMZ
DBs
Braun-
schweig
Koordinationseinheit
N.N.
2. Call
BMBF / Pt Jülich
NBI-
SysBIO
Heidelberg
Daten-Management
• 1 coordination unit, 6 Bioinformatics centers, 2 database nodes
2nd call planned for “late 2014”
Fig. courtesy PTJ Jülich
6
de.NBI – German Network for
Bioinformatics Infrastructure
• Project duration: March 2015 – February 2018
• Coordinator: Alfred Pühler, University of Bielefeld
• 18 project partners
Fig. courtesy PTJ Jülich
7
• Project partner:
• HITS Heidelberg (W. Müller)
• Initially 6 partners, project to improve software tools for
modeling and simulation in computational biology
• Collaborators:
• M. Golebiewski (SABIO-RK),
• C. Goble (Rightfield),
• U. Klingmüller (Exemplify)
• Tools
• SEEK
• SABIO-RK
de.NBI-SYSBIO: Data and model
management
8
de.NBI-SYSBIO: Data and model
management
• Project goals (3 yrs; 3 full time scientific developers, 1 @SBI)
• Data management support for systems biology projects,
with focus on provenance and reproducibility
• To establish the use of standards in the modelling workflow
• To enable experimentalists to submit data to SABIO-RK
• To provide high quality curated biochemical data to modellers
and experimentalists
• Training, training, training...
• Dagmar's motivation:
• To implement algorithms for model management in SEEK
• To promote COMBINE standards in Germany
• To interact more with the people doing in data management
4 life sciences We are hiring:
E13 full-time scientific
developer, possibility to
do a Ph.D.
9
SEMS: Improving reproducibility of virtual experiments
using tools from database and information sciences
Tools and concepts for the
management of
simulation experiments
• MVC support (BiVeS)
• Management of simulation
studies (MASYMOS,
MORRE)
• Standards compliance
(COMBINE)
de.NBI-SYSBIO
10
SEMS: Improving reproducibility of virtual experiments
using tools from database and information sciences
SBGN-ED+
11
SBGN-ED+
SBGN = Systems Biology Graphical Notation
Fig.: Nicolas Le Novère et al:
The Systems Biology Graphical
Notation. Nature Biotech (2009)
12
SBGN-ED+
• SBGN-ED = SBGN Editor
• Java based
• Add-on for VANTED
Fig.: Tobias Czauderna
et al: Editing, validating
and translating of SBGN
maps. Bioinformatics
2010;26:2340-2341
13
SBGN-ED+
• SBGN-ED+ = better SBGN Editor
• Java based
• Add-on for VANTED
Fig.: Tobias Czauderna
et al: Editing, validating
and translating of SBGN
maps. Bioinformatics
2010;26:2340-2341
14
SBGN-ED+
• Coordinator: Falk Schreiber (IPK Gatersleben → Monash
University)
• Project duration: April 2012 – May 2014, plus 1.5yrs at SBI
• Partners:
• H. Hermjakob (EMBL-EBI),
• B. de Bono (UCL)
• Achievements:
• Improved layout algorithms
• Further development of libSBGN
• Improved user interface
• SBML – SBGN-ML transformation
15
SBGN-ED+
• Project goals (1 full-time scientific developer)
• Conversion of SBML/BioPAX models in SBGN-ML and vice
versa
• Connecting SBGN-ED with BioModels Database
• Promotion of SBGN & case studies
• Development of libSBGN
• Training, training, training …
• Dagmar's motivation
• Providing a [usable] tool to work with SBGN maps,
specifically to provide maps for COMBINE archives
• Promotion of SBGN with modelers
We are hiring:
One E13 full-time
scientific developer
for 1.5 yrs
16
SEMS: Improving reproducibility of virtual experiments
using tools from database and information sciences
Model version control
and provenance
• Visualisation of
differences in model
versions (BiVeS)
• Generation of SBGN
maps for CAT
Courtesy M. Scharm
SBGN-ED+
17
Thank you

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Coming Soon: de.NBI and SBGN-ED @ SEMS

  • 2. SEMS: Improving reproducibility of virtual experiments using tools from database and information sciences 2
  • 3. SEMS: Improving reproducibility of virtual experiments using tools from database and information sciences de.NBI-SYSBIO SBGN-ED+ 3
  • 4. SEMS: Improving reproducibility of virtual experiments using tools from database and information sciences de.NBI-SYSBIO 4
  • 5. de.NBI – German Network for Bioinformatics Infrastructure A German network of (1) specialised service units with outstanding expertise in research areas within the life sciences, and (2) local hubs for high-quality databases. [..] de.NBI bundles these know-hows and secures the technical equipment of the service units, as well as the continued development of bioinformatics services and standards. de.NBI furthermore develops concepts for long-term availability of these services and resources. 5
  • 6. de.NBI – German Network for Bioinformatics Infrastructure Leistungszentren Lokale Datenressourcen HD-HuB DKFZ BiGi Bielefeld Bioinfra Prot Bochum RBC Freiburg CiBi Tübingen GCBN Gatersleben/ München PANGAEA Bremen Datenbanken SILVA Bremen Brenda Braun- schweig DSMZ DBs Braun- schweig Koordinationseinheit N.N. 2. Call BMBF / Pt Jülich NBI- SysBIO Heidelberg Daten-Management • 1 coordination unit, 6 Bioinformatics centers, 2 database nodes 2nd call planned for “late 2014” Fig. courtesy PTJ Jülich 6
  • 7. de.NBI – German Network for Bioinformatics Infrastructure • Project duration: March 2015 – February 2018 • Coordinator: Alfred Pühler, University of Bielefeld • 18 project partners Fig. courtesy PTJ Jülich 7
  • 8. • Project partner: • HITS Heidelberg (W. Müller) • Initially 6 partners, project to improve software tools for modeling and simulation in computational biology • Collaborators: • M. Golebiewski (SABIO-RK), • C. Goble (Rightfield), • U. Klingmüller (Exemplify) • Tools • SEEK • SABIO-RK de.NBI-SYSBIO: Data and model management 8
  • 9. de.NBI-SYSBIO: Data and model management • Project goals (3 yrs; 3 full time scientific developers, 1 @SBI) • Data management support for systems biology projects, with focus on provenance and reproducibility • To establish the use of standards in the modelling workflow • To enable experimentalists to submit data to SABIO-RK • To provide high quality curated biochemical data to modellers and experimentalists • Training, training, training... • Dagmar's motivation: • To implement algorithms for model management in SEEK • To promote COMBINE standards in Germany • To interact more with the people doing in data management 4 life sciences We are hiring: E13 full-time scientific developer, possibility to do a Ph.D. 9
  • 10. SEMS: Improving reproducibility of virtual experiments using tools from database and information sciences Tools and concepts for the management of simulation experiments • MVC support (BiVeS) • Management of simulation studies (MASYMOS, MORRE) • Standards compliance (COMBINE) de.NBI-SYSBIO 10
  • 11. SEMS: Improving reproducibility of virtual experiments using tools from database and information sciences SBGN-ED+ 11
  • 12. SBGN-ED+ SBGN = Systems Biology Graphical Notation Fig.: Nicolas Le Novère et al: The Systems Biology Graphical Notation. Nature Biotech (2009) 12
  • 13. SBGN-ED+ • SBGN-ED = SBGN Editor • Java based • Add-on for VANTED Fig.: Tobias Czauderna et al: Editing, validating and translating of SBGN maps. Bioinformatics 2010;26:2340-2341 13
  • 14. SBGN-ED+ • SBGN-ED+ = better SBGN Editor • Java based • Add-on for VANTED Fig.: Tobias Czauderna et al: Editing, validating and translating of SBGN maps. Bioinformatics 2010;26:2340-2341 14
  • 15. SBGN-ED+ • Coordinator: Falk Schreiber (IPK Gatersleben → Monash University) • Project duration: April 2012 – May 2014, plus 1.5yrs at SBI • Partners: • H. Hermjakob (EMBL-EBI), • B. de Bono (UCL) • Achievements: • Improved layout algorithms • Further development of libSBGN • Improved user interface • SBML – SBGN-ML transformation 15
  • 16. SBGN-ED+ • Project goals (1 full-time scientific developer) • Conversion of SBML/BioPAX models in SBGN-ML and vice versa • Connecting SBGN-ED with BioModels Database • Promotion of SBGN & case studies • Development of libSBGN • Training, training, training … • Dagmar's motivation • Providing a [usable] tool to work with SBGN maps, specifically to provide maps for COMBINE archives • Promotion of SBGN with modelers We are hiring: One E13 full-time scientific developer for 1.5 yrs 16
  • 17. SEMS: Improving reproducibility of virtual experiments using tools from database and information sciences Model version control and provenance • Visualisation of differences in model versions (BiVeS) • Generation of SBGN maps for CAT Courtesy M. Scharm SBGN-ED+ 17