Grand Challenges in Computational Biology
Joint BSC - IRB Barcelona Conference

Barcelona, 2-4 June 2008



Monday, 2 June

8:30-9:00 Registration

Chairs: Xavier Daura and Patrick Aloy

The computational microscope
Klaus Schulten.
Theoretical and Computational Biophysics Group. Illinois Univ, USA.

10:15-10:35 Communication: Computational modelling of nasal airflow
J. Peiro. Aeronautics, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom
10:35-11:00 Break
11:00-11:45 Free energies, reaction coordinates and mechanisms of enzymatic reactions by computation
Jiali Gao.
Department of Chemistry. Minnesota Univ., USA.
11:45-12:30 Executable Biology: Successes and Challenges
Jasmin Fisher. Computational Biology Division, Microsoft Research. Cambridge, UK.
12:30-12:50 Algorithms for efficient, load-balanced, and scalable molecular simulation
Berk Hess
. Max-Planck-Institute for Polymer Research. Mainz, Germany
12:50-13:30 Visit to posters (Authors from even references)
13:00-15:00 Lunch

Chair: Victor Guallar

Prediction of folding and misfolding of proteins from their amino acid sequences
Michele Vendruscolo.
Department of Chemistry. Cambridge Univ., UK.

15:45-16:30 Cardiac Modeling on the Blue Gene Supercomputer Using Orthogonal Recursive Bisection
John J. Rice.
Functional Genomics and Systems Biology IBM T.J. Watson Research Center, NY USA.
16:30-17:00 Break
17:00-17:45 The new frontiers of protein structure prediction: transmembrane and natively unfolded proteins
David Jones. Department of Computer Science. University College London, UK.
18.30 Reception to the participants (Institut d'Estudis Catalans)

Tuesday, 3 June


Chairs: Juan Fernández Recio and José M. Carazo

John Moult
Center for Advanced Research in Biotechnology. Maryland Univ., USA.

Communication: Detection of druggable sites with an explicit solvation method
Xavier Barril
. Institució Catalana de Recerca i Estudis Avançats (ICREA). Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona
Modeling of protein-protein interactions in structural genomics
Ilya Vakser. Center for Bioinformatics. Kansas Univ., USA.
ELIXIR – Europe’s Life Science INFOstructure
Janet M. Thornton.
EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SD. UK.
Communication: Screening millions of molecules using hundreds/thousands of processors
Antonio Morreale
. Unidad de Bioinformática Centro de Biología Molecular Severo Ochoa. Madrid. Spain
Visit to posters (Authors from odd references)
15:00-17:30 Round Table
Bioinformatics platforms, New hardware and software developments, HPC initiatives & bioinformatics
Chair: Modesto Orozco. IRB-BSC, Barcelona.

Tim Hubbard. Sanger Institute, UK.
Leif Laaksonen. CSC, Finland.
Francesc Subirada. BSC,. Barcelona.
Janet Thornton. EBI, UK.
Alfonso Valencia. CNIO, Madrid.
Mateo Valero. BSC, Barcelona.

18:00 Visit to MareNostrum

Wednesday, 4 June


Chairs: David Torrents

Comparative metagenomics
Peer Bork.
Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.

Communication: Major Challenges in RNomics and RNA Biophysics: Combined Experimental and in silico Approaches
Fabrice Leclerc
. UMR 7567 CNRS-UHP Nancy Universite
Transcript Complexity in the Human Genome
Roderic Guigó.
Centre de Regulació Genomica, Institut Municipal d'Investigació Mèdica and Pompeu Fabra Univ., Barcelona.
Genomewide identification of gene-gene interactions associated with the susceptibility to disease
Sara Marsal.
Unitat de Recerca de Reumatología (URR), Institut de Recerca, Hospital Universitari Vall d'Hebrón, Barcelona.
There's no such thing as too many sequences: Turning abundant sequence data into biological predictions
Miguel Andrade.
Max Delbrück Center for Molecular Medicine, Berlin, Germany.

Communication: Representing the genomic DNA
J. Ramón Goñi. Joint IRB-BSC Program on Computational Biology, Institute of Research in Biomedicine, Parc Científic de Barcelona and Barcelona Supercomputing Center

13:35-13:50 Prize to the best poster
Concluding Remarks



Genoma españaELIXIR Generalitat de CatalunyaIBM