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LiSIs: a Galaxy-based platform for
Life Sciences Informatics Research
CHRISTOS KANNAS
DEPARTMENT OF COMPUTER SCIENCE
UNIVERSITY OF CYPRUS
Powered by…
2

 Galaxy (galaxyproject.org)
 Scientific Workflow Management System
 RDKit (www.rdkit.org)
 Cheminformatics Toolkit
 R (www.r-project.org)
 Statistical environment for data mining, machine learning and
statistics
 AutoDock Vina (vina.scripps.edu)
 Molecular Docking Prediction
 OpenBabel/Pybel (http://openbabel.org)
 Chemical/Biological file format transformations.
2nd RDKit UGM

02 October, 2013
What is LiSIs?
3

 Scientific Workflow platform for Virtual Screening.

2nd RDKit UGM

02 October, 2013
Funded…
4

 EU FP7 GRANATUM project, ”A Social

Collaborative Working Space Semantically
Interlinking Biomedical Researchers, Knowledge
and data for the design and execution of In Silico
Models and Experiments in Cancer
Chemoprevention”, contract number ICT-2009.5.3.
 www.granatum.org
 lisis.cs.ucy.ac.cy

2nd RDKit UGM

02 October, 2013
Cross Linked…
5

 EU FP7 Linked2Safety project, “A Next-

Generation, Secure Linked Data Medical
Information Space For SemanticallyInterconnecting Electronic Health Records and
Clinical Trials Systems Advancing Patients Safety
In Clinical Research”, contact number 288328.
 www.linked2safety-project.eu

2nd RDKit UGM

02 October, 2013
Acknowledgements
 eHealth Laboratory, UCY





Kleo Achilleos
Zinonas Antoniou
Christodoulos Nicolaou (PhD)
Prof. Constantinos Pattichis

 Bioinformatics Laboratory, UCY







Ioanna Kalvari
Ioannis Kirmitzoglou
Athina Theodosiou
Stella Tamana
Prof. Vasilis Promponas

 Department of Pharmaceutical

6

 Cancer Biology and

Chemoprevention Laboratory
, UCY




Christiana Neophytou
Christiana Savva
Prof. Andreas Constantinou

 Cancer Chemoprevention and

Epigenomics Workgroup, DKFZ



David Scherf (PhD)
Prof. Clarissa Gerhauser

 IITRI


Prof. Rajendra Mehta

Chemistry, NUA



George Lambrinidis (PhD)
Prof. Emmanouel Mikros

2nd RDKit UGM

02 October, 2013

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LiSIs: a Galaxy based platform for Life Sciences Research

  • 1. LiSIs: a Galaxy-based platform for Life Sciences Informatics Research CHRISTOS KANNAS DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY OF CYPRUS
  • 2. Powered by… 2  Galaxy (galaxyproject.org)  Scientific Workflow Management System  RDKit (www.rdkit.org)  Cheminformatics Toolkit  R (www.r-project.org)  Statistical environment for data mining, machine learning and statistics  AutoDock Vina (vina.scripps.edu)  Molecular Docking Prediction  OpenBabel/Pybel (http://openbabel.org)  Chemical/Biological file format transformations. 2nd RDKit UGM 02 October, 2013
  • 3. What is LiSIs? 3  Scientific Workflow platform for Virtual Screening. 2nd RDKit UGM 02 October, 2013
  • 4. Funded… 4  EU FP7 GRANATUM project, ”A Social Collaborative Working Space Semantically Interlinking Biomedical Researchers, Knowledge and data for the design and execution of In Silico Models and Experiments in Cancer Chemoprevention”, contract number ICT-2009.5.3.  www.granatum.org  lisis.cs.ucy.ac.cy 2nd RDKit UGM 02 October, 2013
  • 5. Cross Linked… 5  EU FP7 Linked2Safety project, “A Next- Generation, Secure Linked Data Medical Information Space For SemanticallyInterconnecting Electronic Health Records and Clinical Trials Systems Advancing Patients Safety In Clinical Research”, contact number 288328.  www.linked2safety-project.eu 2nd RDKit UGM 02 October, 2013
  • 6. Acknowledgements  eHealth Laboratory, UCY     Kleo Achilleos Zinonas Antoniou Christodoulos Nicolaou (PhD) Prof. Constantinos Pattichis  Bioinformatics Laboratory, UCY      Ioanna Kalvari Ioannis Kirmitzoglou Athina Theodosiou Stella Tamana Prof. Vasilis Promponas  Department of Pharmaceutical 6  Cancer Biology and Chemoprevention Laboratory , UCY    Christiana Neophytou Christiana Savva Prof. Andreas Constantinou  Cancer Chemoprevention and Epigenomics Workgroup, DKFZ   David Scherf (PhD) Prof. Clarissa Gerhauser  IITRI  Prof. Rajendra Mehta Chemistry, NUA   George Lambrinidis (PhD) Prof. Emmanouel Mikros 2nd RDKit UGM 02 October, 2013