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Development of Grid service based molecular docking application

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

A molecular docking is the process of reducing an unmanageable number of compounds to a limited number of compounds for the target of interest by means of computational simulation. And it is one of a large-scale scientific application that requires large computing power and data storage capability. Previous applications or software for molecular docking were developed to be run on a supercomputer, a workstation, or a cluster-computer. However the molecular docking using a supercomputer has a problem that a supercomputer is very expensive and the molecular docking using a workstation or a cluster-computer requires a long execution time. Thus we propose Grid service-based molecular docking application. We designed a resource broker and a data broker for supporting efficient molecular docking service and developed various services for molecular docking. Our application can reduce a timeline and cost of drug or new material design.

Original languageEnglish
Title of host publicationProceedings of the 2008 International Conference on Grid Computing and Applications, GCA 2008
Pages253-257
Number of pages5
Publication statusPublished - 2008
Event2008 International Conference on Grid Computing and Applications, GCA 2008 - Las Vegas, NV, United States
Duration: 2008 Jul 14 → 2008 Jul 17

Publication series

NameProceedings of the 2008 International Conference on Grid Computing and Applications, GCA 2008

Other

Other2008 International Conference on Grid Computing and Applications, GCA 2008
Country/TerritoryUnited States
CityLas Vegas, NV
Period08/7/14 → 08/7/17

Keywords

  • Grid computing
  • Grid services
  • Molecular docking

ASJC Scopus subject areas

  • Computer Science Applications
  • Hardware and Architecture
  • Software

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