Main Menu
Recent Changes lists
Events Calendar

S M T W T F S
1 2 3 4 5 6 7
8 9 10 11 12 13 14
15 16 17 18 19 20 21
22 23 24 25 26 27 28
29 30 31 1 2 3 4
Login Form





Lost Password?

Jun 08 2009
Dengue Fever Activity in EUAsiaGrid
Written by Manager   
Monday, 08 June 2009
Dengue Fever Activity in EUAsiaGrid
                                                                                                                                           
                                                    GAP Virtual Screening Service
 
 
  • Introduction
 

Dengue fever is an epidemic disease in more than 100 countries. The WHO confirmed that around 2.5 billion people, equals 2/5 of the world’s population, are now at the risk. 50 million cases of Dengue infection are estimated to occur annually world-widely; and around 95% cases are happening to children under 15 year-old in South-Eastern Asian countries.

As EUAsiaGrid has successfully deployed the Virtual Screening Service (VSS) based the Grid Application Platform (GAP) for the Avian Flu DC2 Refine drug discovery in EUAsia VO in March 2009, a total of 1,111 CPU-days was run over the EUAsiaGrid infrastructure; and more than 160,000 output files with a data volume of 12.8 Gigabytes were created and stored in a relational database, we are now aiming for more scientific collaboration with EUAsiaGrid partners: to seek for solutions for Dengue Fever via using the GVSS (GAP Virtual Screening Service).


The target for Dengue Fever Activity in EUAsiaGrid that we are currently focused on is the NS3 protease (Nonstructural protein 3), also known as an enzyme critical for virus replication, and its amino acid sequence and atomic structure are very similar among the different disease–causing flaviviruses. We can utilize the grid enabled high throughput screening for structure–based computational methods to identify small molecule protease inhibitors. ASGC has developed the GVSS application package integrated with the EGEE gLite software DIANE2 and AMGA, and used the Autodock as the simulation docking engine. User can submit grid computing jobs as well as select compounds and targets in the application. GVSS also enables the user to upload their compounds and targets to do the same docking process, compare the significant components, and verify them trough in-vitro experiments.

 
  
  •   Service Architecture
Service Architecture 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  • Dengue Fever Activity in EUAsiaGrid with GAP Virtual Screening Service
  • Apply your user certificate for the usage of GRID [ GO ]
  • You must import your certificate into your browser. Then you can apply the EUAsiaGRID VO and VQS account with this browser.
  • Join EUAsiaGRID VO ( Virtual Organization ) [ GO ]
  • Register a valid VQS user and download the GUI client tool.
  • GAP-VQS Registration [ GO ]
  • Subscribe CDI ligand data sets [ GO ]
  • Download the latest version(1.0.1) of GVSS for starting Dengue Fever Activity.
  • The detail information, please check this Quick User Guide
  • GAP Virtual Screening Quick User Guide [ v1.0.1 ]
  • An animation for showing you a quick DEMO.
  • GAP Virtual Screening Service DEMO 
    [ FLASH | QuickTime ]
  • HelpDesk
  • Contact Information; This e-mail address is being protected from spam bots, you need JavaScript enabled to view it
Last Updated ( Sunday, 14 June 2009 )
 
© 2012 GAP - Grid Application Platform
+886-2-27880058 ext.1002
ASGC - Academia Sinica Grid Computing