W05 - Drug Development 2.0 -- Computational integrative biology methods for drug repurposing, target discovery and translational research.

The discovery of differentiated new medicines that provide clear benefits to patients remains challenging in spite of ever increasing investments. At the same time the quantity and diversity of patient related data continues to grow exponentially (pre-clinical data, clinical data, patient data, EHR, ‚ÄėOMICs data, and information associated with medicines in general). New business models are also emerging with stronger collaborations between the industry and the academia with large public private partnerships (PPPs such as IMI in the EU) or the use of crowd sourcing. The scientific community is starting to leverage this wealth of information in ways that have the potential to disrupt the traditional drug discovery and development process as we know it. This workshop also invites submissions that leverage and translate similar techniques and data sets to new application domains including Health Outcomes Research, Biotech and Agriculture.

This workshop intends to bring together leading members from academia, biotech and pharmaceutical companies to discuss how to maximize the use of this data deluge to accelerate the discovery of new medicines that will ultimately benefit patients.


Preliminary schedule: (might change slightly over the next weeks):

Sunday, September 7, 2014

9:00   Welcome - Dr Jacob Koehler    
Session 1 - Chair: Dr Jacob Koehler
9:00 9:20 Dopazo, Joaquin (invited speaker) Using activation status of signaling
pathways as mechanism-based biomarkers to predict drug sensitivity
Centro de Investigacion Principe Felipe, Valencia, Spain
9:30 9:50 Poongavanam, Vasanthanathan; Olsen, Jógvan Magnus; Kongsted, Jacob Binding Free Energy Based Structural Dynamics Analysis of HIV-1 RT RNase H-Inhibitor Complexes University of Southern Denmark, Denmark
10:00 10:20 Tiwari, Sandeep; Almeida, Sintia; Hassan, Syed; Costa, Marcília Pinheiro da; Folador, Edson; Jamal, Syed; Junior, Alberto F. Oliveira Junior; Abreu, Vinícius Augusto Carvalho de Abreu; Silva, Artur; Barh, Debmalya; Azevedo, Vasco Targeting PhoPR System of Corynebacterium pseudotuberculosis via Potential Antibacterial Compounds from Natural Resources: An in silico Approach. Federal University of Minas Gerais, Brazil
10:30 11:00 Break    
Session 2 - Chair: Dr Philippe Sanseau
11:00 11:20 Overington, John (invited speaker) ChEMBL - a database of drug-like molecules, molecular targets and bioassays European Molecular Biology Laboratory, European Bioinformatics Institute, United Kingdom
11:30 11:50 Sun, Kai; Buchan, Natalie; Larminie, Chris; Przulj, Natasa The integrated disease network Imperial College, United Kingdom
12:00 12:20 Borukhov, Itamar  Computational Discovery of Drug Targets and Therapeutic Biologics: Identifying Novel Natural Peptides and Functional Epitopes Compugen Ltd., Israel
12:30 14:00 Lunch & posters    
Session 3 - Chair: Prof Dr Michael Schroeder
14:00 14:20 Przulj, Natasa (invited speaker) tba Imperial College, United Kingdom
14:30 14:50 Dogan, Tunca Comprehensive Drug-Target Predictions with the Combination of Domain Mapping and Ligand Similarity Detection European Molecular Biology Laboratory, European Bioinformatics Institute, United Kingdom
15:00 15:20 Jiménez, Francisco Martínez

nAnnoLyze: ligand-target prediction by structural network biology

Center for Genomic Regulation, Barcelona, Spain
15:30 15:50 Folador, Edson; Hassan, Syed; Lemke, Ney; Barh, Debmalya; Silva, Artur; Ferreira, Rafaela; Azevedo, Vasco An improved interolog mapping-based computational prediction of protein-protein interactions with increased network coverage. Federal University of Minas Gerais, Brazil
16:00 16:30 Break    
Session 4 - Chair: Prof Dr Jan Baumbach
16:30 16:50 Sarajlic, Anida; Gligorijevic, Vladimir; Radak, Djordje; Przulj, Natasa Network wiring of pleiotropic kinases yields insight into dissociation of diabetes and aneurysm Imperial College, United Kingdom
17:00 17:20 Qurrat-ul-Ain, Ainee Modelling Ligand Selectivity of Serine Proteases using Proteometric Approaches University of Cambridge, United Kingdom

Closing remarks - Dr Jacob Koehler 


Call for full papers: We welcome the submission of papers. Successful paper submissions will be presented at the workshop and published in a special issue of Integrative Biology (Impact factor 4.3). Submission deadline: June 1, 2014, Notification: July 1, 2014. Camera ready submission: August 1, 2014. Submission link: here. Note: Please mention in the cover letter that you submit to the "Special Issue for Computational Integrative Biology". Please use the submission link and directly submit to the journal. -- CLOSED --


Call for presentations: Submissions in this category will be evaluated based on extended abstracts (max 800 words). Submission deadline: June 15, 2014, Notification: July 1, 2014. Submission details: by email to This email address is being protected from spambots. You need JavaScript enabled to view it. . -- CLOSED --


Posters: Submission deadline: July 15, 2014. Notification: August 1, 2014. Submission details: by email to This email address is being protected from spambots. You need JavaScript enabled to view it. .


Invited speakers:

John Overington, EBI, Hinxton, UK

NataŇ°a PrŇĺulj, Imperial College, London, UK

Joaquin Dopazo, Centro de Investigación Príncipe Felipe, Valencia, Spain



Prof. Dr. Jan Baumbach, University of Southern Denmark, Denmark

Prof. Dr. Michael Schroeder, TU Dresden, Germany

Dr. Philippe Sanseau, GlaxoSmithKline, UK

Dr. Jacob Koehler, DOW AgroSciences, USA


Scientific committee:

  • Natasa Przulj (Imperial College, UK)
  • Sebastian B√∂cker (Jena University, GER)
  • John 'Scooter' Morris (UC San Francisco, USA)
  • Vasco Azevedo (Federal University of Minas Gerais, BR)
  • Gunnar Klau (VU University Amsterdam, NL)
  • Jens Stoye (Bielefeld University, GER)
  • Jake Chen (Indiana University, USA)
  • Aris Persidis (Biovista, GR)


Contact: Jan Baumbach, Department of Mathematics and Computer Science, University  of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark, This email address is being protected from spambots. You need JavaScript enabled to view it. .

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