Drug discovery using grid technology

被引：2
|
作者：
Hamada, M [1 ]
Inagaki, Y [1 ]
Chuman, H [1 ]
机构：
[1] Fuji Res Inst Corp, Tokyo, Japan
来源：
SEVENTH INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING AND GRID IN ASIA PACIFIC REGION, PROCEEDINGS | 2004年
关键词：
D O I：
10.1109/HPCASIA.2004.1324057
中图分类号：
TP301 [理论、方法];
学科分类号：
081202 ;
摘要：
A number of computer resources, such as CPUs and storages, can be connected over networks to construct a huge virtual computing environment using grid technologies. Our project "g-Drug Discovery" aims to develop a platform for drug discovery using grid technologies, on which various analysis and calculations are conducted, such as molecular mechanics method, replica exchange method, docking with proteins, molecular orbital method, and 3-dimensional quantitative structure activity relationship. For this aim we have specified a markup language for drug discovery (DrugML) and constructed database system. In this note we report some results of a ligand-receptor docking simulation, which is calculated on this platform using a grid RPC system "OmniRPC" and virtual screening software "Xsi" (ku-su-shi). We assume only 2-dimensional structure of ligand and 3-dimensional structure of receptor, and reproduce the complex of these molecules.
引用
收藏
页码：352 / 356
页数：5
相关论文
共 50 条
  • [1] Heterogeneous database federation using grid technology for drug discovery process
    Tohsato, Y
    Kosaka, T
    Date, S
    Shimojo, S
    Matsuda, H
    GRID COMPUTING IN LIFE SCIENCE, 2005, 3370 : 43 - 52
  • [2] Heterogeneous database federation using grid technology for drug discovery process
    Tohsato, Y. (yukako@ist.osaka-u.ac.jp), Japanese Society for Artificial Intelligence; Ministry of Education, Science, Sports and Culture of Japan; RIKEN Genomic Science Center; The Initiative for Parallel Bioinformatics, Japan (Springer Verlag):
  • [3] Novel Drug Discovery with SIMDAT Grid Technology
    Havertz, Yvonne
    Thole, Clemens-August
    ERCIM NEWS, 2008, (75): : 59 - 60
  • [4] Development of a database system for drug discovery by employing grid technology
    Kitajima, M
    Tohsato, Y
    Kosaka, T
    Yamazaki, K
    Teramoto, R
    Date, S
    Shimojo, S
    Matsuda, H
    SEVENTH INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING AND GRID IN ASIA PACIFIC REGION, PROCEEDINGS, 2004, : 365 - 369
  • [5] Drug discovery using grid technologies and DrugML.
    Hamada, M
    Inagaki, Y
    Goto, H
    Tanaka, S
    Chuman, H
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U685 - U685
  • [6] Using a private desktop grid system for accelerating drug discovery
    Kovacs, Jozsef
    Kacsuk, Peter
    Lomaka, Andre
    FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING AND ESCIENCE, 2011, 27 (06): : 657 - 666
  • [7] Using Voronoi Grid and SVM linear regression in drug discovery
    Ghaibeh, A. A.
    Sasaki, M.
    Chuman, H.
    PROCEEDINGS OF THE 2006 IEEE SYMPOSIUM ON COMPUTATIONAL INTELLIGENCE IN BIOINFORMATICS AND COMPUTATIONAL BIOLOGY, 2006, : 51 - +
  • [8] Grid technologies empowering drug discovery
    Chien, A
    Foster, I
    Goddette, D
    DRUG DISCOVERY TODAY, 2002, 7 (20) : S176 - S180
  • [9] The GRID/CPCA approach in drug discovery
    Rocha, Josmar R.
    Freitas, Renato F.
    Montanari, Carlos A.
    EXPERT OPINION ON DRUG DISCOVERY, 2010, 5 (04) : 333 - 346
  • [10] Imaging technology in drug discovery
    不详
    TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 2001, 20 (04) : VI - VII
12345