ExaScale 2010 Barcelona

Scientific programme

The conference will be organized in two and a half days including four thematic sessions:

Systems biology (Monday 13th Morning)
Genomics (Monday 13th Afternoon
Molecular simulations (Tuesday 14th)
Simulation in medicine (Wednesday 15th Morning)

Preliminary programme

Monday, 13th December
9:00-9:30	Opening
	Systems Biology
9:30-10:15	Manuel Peitsch (Swiss Institute of Bioinformatics. Switzerland) How Systems Biology can impact our society in the 21st century
10:15-11:00	Reinhard Schneider (EMBL. Heidelberg. Germany) Exascale computing in biology: a long way to go!
11:00-11:30	COFFEE BREAK
11:30-12:15	Alfonso Valencia (CNIO. Spain) Protein Complexes from Sequences and Structural Information.
12:15-13:00	Julio Saez-Rodríguez (EBI. Hinxton. UK) Linking high-throughput proteomics and large protein networks to construct mechanistic models that elucidate the deregulation of signal transduction in disease
13:00-15:00	LUNCH
	Genomics
15:00-15:45	Ivo Gut (CNAG, Barcelona) How much computing does genome analysis require
15:45-16:30	Anna Tramontano (University of Rome "La Sapienza", Italy)
16:30-16:45	Selected Communication G De Fabritiis (Universitat Pompeu Fabra) Towards high-throughput molecular simulations
16:45-17:00	Selected Communication S. Béjar (Computational Biology and Bioinformatics, Molecular Biology Institute of Barcelona (IBMB), Barcelona) The impact of Alternative Splicing in Stochastic Gene Expression
17:00-17:30	COFFEE BREAK
17:30-18:15	Andrew Lyall (EBI, Hinxton. UK) ELIXIR: Managing exa-scale bio-medical data collections for Europe
18:15-18:45	Oscar de Bustos Matín (Bull) On the way of Exaflop: from HPC to Extreme Computing
19:00-20:00	Wellcome - Poster Session
Tuesday, 14th December
	Molecular Simulation I
9:00-9:45	Helmut Grubmuller (Max Planck Institute. Gottingen, Germany) Atomistic Simulation of Single Molecule Experiments
9:45-10:30	Richard Lavery (IBCP. Lyon. France) Modeling transcription in the cellular environment
10:30-11:15	Erik Lindahl (Stockholm University. Sweden)
11:15-11:45	COFFEE BREAK
11:45-12:30	Henry Markram (Ecole Polytechnique Fédérale de Lausanne: Switzerland)
12:30-12:45	Selected Communication M. D’Abramo (CNIO, Madrid) Conformational selection vs. induced fit in the PI3K-gamma
12:45-13:00	Selected Communication T. Meyer (MPI-BPC Goettingen, Germnay) Dynasome: How does protein structure and function relate to dynamics?
13:00-14:15	LUNCH
	Molecular Simulation II
14:15-15:00	Wolfang Wenzel (Karlsruhe Institute of Technology. Germany) Conquering the time scale problem in biophysics and materials science
15:00-15:45	Johan Åqvist (University of Upsala. Sweden) Computational Studies of Protein Synthesis on the Ribosome
15:45-16:30	Charles Laughton (Univ. of Nottingham. UK) Protein Dynamics in the Microsecond Regime
	Visit to Sagrada Familia // EXASCALE satelite meeting
Wednesday, 15ht December
	Simulation in Medecine
9:00-9:45	Adrian E. Roitberg (Florida Univ. USA) Sampling conformational space of biomolecules in the exascale era.
9:45-10:30	Nicolas Baurin (Sanofi-Aventis. France ) Drug Design support to Lead Generation: current applications of HPC, challenges & perspectives
10:30-11:00	Julian Tirado-Rives (Univ. of Yale. USA) Computer Assisted Drug Design in the Academic Environment: the more (and bigger, and faster) the better.
11:00-11:30	COFFEE BREAK
11:30-12:00	Manuel Doblare (Univ. Zaragoza. Spain) On modeling living tissues and organs. Mechanical and mechanobiological aspects
12:00-12:30	Mariano Vazquez (BSC. Spain) High Performance Computational Biomechanics
	Concluding Session
12:30-13:15	Paolo Carloni (German Research School. Julich. Germany) Ab initio molecular dynamics simulations of biological systems in laboratory realizable conditions
13:15	Concluding remarks

Poster communications

Sponsors: