DataGrid Project 30MB/sec Digital Sky and the Grid WWW-DB DB enhance Image() Network Network

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1 E-science -- IT -- e-science

2 DataGrid Project 30MB/sec Digital Sky and the Grid WWW-DB DB enhance Image() Network Network

3 SDSS(Sloan Digital Sky Servey) overies.asp#brown SDSS VO (Virtual Observatory) (Paul Messina Naregi Symposium 2004 ) T P Web Service Federation (Atlas) Science as a team sport

4 Building the BIRN Biomedical Informatics Research Network (BIRN) Mark Ellisman Maryann Martone Steve Peltier Amarnath Gupta Bertram Ludaescher Phil Papadoupolos Chaitan Baru Dave Nadeau Jay Dombrowski Tom Hutton Mark James Peter Arzberger Courtesy of Mark Ellisman THE BIOMEDICAL INFORMATICS RESEARCH NETWORK LAYOUT FOR PHASE 1 Drop the ball in the middle Courtesy of Mark Ellisman

5 24x7 Operations Monitoring BIRN Network Operations Center (NOC) Logical Description with Standardized Site Rack BIRN NOC Monitoring Internet 2 SDSC Network Network Switch BIRN Statistics BIRN Network Probe Network Attached Storage Grid POP/ SRB, Globus Dual Processor General purpose ( eg., encryption) UPS for Rack NCRR Cisco 4006 DL380 - Network Stats GigE Net Probe N2400 NAS TB DL380 Grid POP DL380 APC UPS BIRN Site Rack NOC Servers and Testers/Analyzers Si Si GB Switches Gigabit Network Probes BIRN Network Management Courtesy of Mark Ellisman BIRN T P BIRN Rack/BIRN CC Mophometry, Mouse, Functional BIRN BIRN (Atlas)

6 data driven/intensive science

7 Application Integration Technology (Grid Portal) HTC Computing Data Grid Telescience High Grid Data Online Analysis Throughput Computing BioPfuga Core Grid BioGrid Infrastructure GSI-SFS 6Grid Secure Grid Infrastructure IPv6 based Grid Globus6, GridFTP : NEC : : NEC : :

8 PC Globus, Condor GSI-SFS GSI-SFS IPv6 Grid tool Globus 2.2.3, GridFTP (6Grid) MEG GUIDE SC2002 Researchers Osaka University blast ClustalW Researchers Institute of Microbiology, CAS ClustalW blast Biological PDB GSI-SFS Resource database Globus (Grid middle ware) GRAM GSI GASS MDS IPv6 (Future Works) Disease Web 11 SuperComputing 2003 Globus Toolkit 3/OGSA-DAI Easy-to-Use Grid Portal Database, Application and Grid Genome/Gene Protein Drug Interaction

9 Computing Grid BioPfuga Integration of large scale computations on a grid architecture for modeling biological systems on multiple levels Yasushige Yonezawa Institute for Protein Research, Osaka University The biological systems on multiple levels Organ and Tissue Simulation Physiome Cell Simulation Cellome Protein Folding Simulation Simulation for Protein Complexes Electron level Simulation Proteome In silico Drug screening Biochemical Reactions BioPfuga QM/MM

10 Molecular system:aquapolin with water 4 water molecules near the NPA residues of bovine aquapolin-1 were treated by Quantum Mechanics (MINI-4). Other 4,393 water molecules were treated by Molecular Mechanics with the TIP3P model. Total 16,962 atoms were simulated without truncation at 300 K. Canonical ensemble. NEC AMOSS prestox hybrid-qm/mm RossenApostolov

11 DFT (Density Function Theory)/Generalized DFT, have been integrated into BioPfuga The Benzene + a water was calculated by DFT SC2003 CCD HDTV Web SC2003 Bandwidth Challenge Application

12 Web SC2003

13 Collaborations MoU among NCMIR (UCSD), CMC, UHVEM, (Osaka Univ), KDDI, KBSI e-science Science as a team sports E-science science

14 e-science: Data-Intensive Science Canary in a coal mine e-science

15 Innovation vs Evolution MOT

16 Meeting place for science and IT

Science Technical challenge of PC HPC/Distributed Computing Meets Internet

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