Philippine e-science Grid. Initiatives

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Ψ Initiatives Philippine e-science Grid Ren Gabas Advanced Science and Technology Institute

Outline Current Researches Proposed Program Philippine e-science Grid Implementation of Projects Potential Beneficiaries

About ASTI The Advanced Science and Technology Institute conducts scientific research and development in the advanced fields of Information and Communications Technology and Microelectronics.

Agricultural Biotechnology Development of molecular markers Discovery of important genes and their regulatory elements Plant transgenesis Regulation of GM crops as part of sciencebased risk assessment Most of the R&D activities are based at the University of the Philippines Los Baños (IPB, BIOTECH, IBS), PCARRD, PCMARD, PhilRice & IRRI

Agricultural Biotechnology K-AgriNet Program Knowledge Networking Towards Enterprising Agricultural Communities (PCARRD-DOST, DA-PhilRice, DAR & DAP) FITS Farmer s Information and Technology Services Information System Centers (PCARRD - DOST)

Medical Bioinformatics Population screening Drug discovery and development Outbreak detection Disease characterization Vaccine development Analysis of results and data mining & management (PCR primer design, nucleotide sequence alignment, sequence analysis, phylogeny, protein structure prediction, epitope prediction, etc.) Most of the R&D activities are based at the University of the Philippines (Manila & Diliman), St. Luke s Medical Center, University of Santo Tomas, RITM DOH & UNILAB

Medical Bioinformatics http://www.bioinfo.e-health.ph A one-stop-easily navigable health research portal An information resources builder in the form of specialty databases, electronic journals, directories, among others A venue for research collaboration and information dissemination

Medical Bioinformatics http://www.e-health.ph Health and related news and advisories Searchable local researcher and research databases Message board Relevant health and health research links SMS messaging (Mobile phone to email application) Online polls/survey Content management system

Telehealth Service Program Philippine Council for Health Research and Development (PCHRD- DOST) Department of Science and Technology (DOST) University of the Philippines Manila University of the Philippines Diliman University of the Philippines Philippine General Hospital

Environment Improved weather forecasting Climate change research Pollution monitoring Done by PAGASA, Manila Observatory PAGASA Interactive Climate and Weather Information Network (PAGASA, ASTI) Earthquake and tsunami research (PHIVOLCS)

DNA Sequence Analysis Comparison Sequencing Amplification Extraction

DNA Sequence Analysis

Marker-Assisted Selection Process of using the results of DNA testing to assist the selection of parents for the next generation; bred using classic methods

Protein Docking Collicin immunity protein complex Colicin and immunity protein are from E. coli. Colicin D is secreted by E. coli to kill other bacteria in its medium, and Collicin D immd (predicted model 7) immd (1v74.pdb) immd inhibits colicin while it is still in E. coli before secretion.

Protein Docking Bovine trypsin inhibitor Trypsin Atomic resolution Reduced model using pseudo-atoms

Weather Forecasting: MM5 60 km resolution 20 km resolution

Weather Forecasting: HRM 14 km resolution, generated in 1hr These models (MM5, HRM) still need more improvements to take into account the nuances of Philippine tropical weather.

Climate Modeling

Tsunami Modeling

Challenges of Researchers Storage of large data sets as well backup facilities for them Operational use reliability Organize collaboration between researchers who are dispersed in different institutions Dispersed and unstandardized data formats make collaboration difficult Scientific visualization

Proposed Project Philippine e-science Grid Program Umbrella program for national grid projects HPC-RC Project Bioinformatics Project Modest goals for year 1 Build infrastructure Promote and train researchers in the use of the Grid and HPC resources Lay the ground work for participation in other international grid organizations

Implementation Philippine e-science Grid Program HPC-RC Project Bioinformatics and Computational Biology Projects Visualization and Collaborative Technologies Projects Environment and Disaster Mitigation Projects Scientific and Engineering Computation Projects GeoInformatics Projects...

HPC Objectives To establish and maintain a high performance computing facility that encourages multi-disciplinary research. To organize an advisory committee which will help develop a roadmap on high performance computing. To build capability in the field by attending trainings, conferences, and workshops on Cluster/Grid/High Performance Computing, infrastructure, applications, and security.

Standardization Common middleware that can speak the currently-available formats Simplification of code programming, one code => many machines Presentation and usage of scientific material, results and tools over the Access Grid Federated authentication Institutions can vouch for the identity of a user

Data Storage Replication of important data to other sites Accessibility of data to other researchers Updates should propagate automatically

What is the Grid? Collection of geographically-dispersed and institutionally-independent computers that may or may not trust each other, but allow users to share computing resources such as CPU time, storage medium, data, etc.

The Grid Today Information Grid: World Wide Web Data Grid: P2P networks Computing Grid: EGEE, OSG, APGrid

Foreign Grids National Grid Office (Singapore) ThaiGrid (Thailand) e-science Grid Testbed (Malaysia) APGrid (Asia-Pacific) Enabling Grids for E-sciencE (EU) Open Science Grid (US) National Research Grid Initiative (Japan) NorduGrid (Nordic countries) National Center for High Performance Computing (Taiwan)

HPC-RC Project Connect HPC clusters in different institutions using a broadband network Provide a focal point for Grid services Advisory committee Technical support

HPC-RC Project Advisory board Provide direction, formulate policies Act as liaison in their respective institutions Initial Members: Advanced Science and Technology Institute Ateneo de Manila University Philippine Atmospheric, Geophysical and Astronomical Services Administration University of the Philippines Diliman Limited due to geographic location

HPC-RC Project Field-Programmable Gate Arrays reconfigurable supercomputing/hardware architecture

Initial Grid Members All conveniently located in Diliman High Speed Network will be provided by PREGINET

Bioinformatics Objectives To provide rapid access to major biological sequence and structure databases To provide a web hosting service for bioinformatics programs to local researchers To enhance the expertise of local researchers in bioinformatics

Bioinformatics Project Mirror genomic databases from abroad Search engine Grid workflows Sequence alignment and search Protein docking

Collaborative Tech Project Analysis and display systems Access Grid integration of technologies for easy collaboration with other researchers

Potential Beneficiaries Philippine Interactive Climate and Weather Information Network (PICWIN) PHIVOLCS Earthquake and Tsunami Modeling National Health Information Network (NHIN) Identification of native plants that may have economic value using gene sequencing

Philippine e-science Grid Thank you. http://philgrid.asti.dost.gov.ph

References The Gray Lab CAPRI Gallery, http://graylab.jhu.edu/~mdaily/capri/gallery/gallery.html Protein-protein docking using a reduced model and accounting for side chain flexibility, http://www.iu-bremen.de/schools/ses/mzacharias/08475/