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
  • [21] iPSC Technology: Platform for Drug Discovery
    Ellis, J.
    Bhatia, M.
    CLINICAL PHARMACOLOGY & THERAPEUTICS, 2011, 89 (05) : 639 - 641
  • [22] Drug discovery technology for ion channels
    Lachnit, WG
    Costantin, JL
    DRUG DISCOVERY TODAY, 2002, 7 (12) : 651 - 652
  • [23] Proteomics: key technology in drug discovery
    Celis, JE
    DRUG DISCOVERY TODAY, 1998, 3 (05) : 193 - 195
  • [24] DIVERSOMER(R) technology in drug discovery
    Ghosh, S
    Hogan, E
    DeWitt, S
    DRUG NEWS & PERSPECTIVES, 1996, 9 (02) : 82 - 86
  • [25] The design of a grid computing system for drug discovery and design
    Chen, SD
    Zhang, WJ
    Ma, FY
    Shen, JH
    Li, ML
    GRID AND COOPERATIVE COMPUTING GCC 2004, PROCEEDINGS, 2004, 3251 : 799 - 802
  • [26] In Silico Drug Discovery Approaches on Grid Computing Infrastructures
    Wolf, Antje
    Shahid, Mohammad
    Kasam, Vinod
    Ziegler, Wolfgang
    Hofmann-Apitius, Martin
    CURRENT CLINICAL PHARMACOLOGY, 2010, 5 (01): : 37 - 46
  • [27] Developing science gateways for drug discovery in a grid environment
    Perez-Sanchez, Horacio
    Rezaei, Vahid
    Mezhuyev, Vitaliy
    Man, Duhu
    Pena-Garcia, Jorge
    den-Haan, Helena
    Gesing, Sandra
    SPRINGERPLUS, 2016, 5
  • [28] Biomolecular interaction analysis in drug discovery using surface plasmon resonance technology
    Huber, Walter
    Mueller, Francis
    CURRENT PHARMACEUTICAL DESIGN, 2006, 12 (31) : 3999 - 4021
  • [29] Using label-free screening technology to improve efficiency in drug discovery
    Halai, Reena
    Cooper, Matthew A.
    EXPERT OPINION ON DRUG DISCOVERY, 2012, 7 (02) : 123 - 131
  • [30] Drug discovery in the kinase inhibitory field using the Nested Chemical Library™ technology
    Kéri, G
    Székelyhidi, Z
    Bánhegyi, P
    Varga, Z
    Hegymegi-Barakonyi, B
    Szántai-Kis, C
    Hafenbradl, D
    Klebl, B
    Muller, G
    Ullrich, A
    Erös, D
    Horváth, Z
    Greff, Z
    Marosfalvi, J
    Pató, J
    Szabadkai, I
    Szilágyi, I
    Szegedi, Z
    Varga, I
    Wáczek, F
    Örfi, L
    ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES, 2005, 3 (05) : 543 - 551
12345