Literature DB >> 12546902

Grid technologies empowering drug discovery.

Andrew Chien1, Ian Foster, Dean Goddette.   

Abstract

Grid technologies enable flexible coupling and sharing of computers, instruments and storage. Grids can provide technical solutions to the volume of data and computational demands associated with drug discovery by delivering larger computing capability (flexible resource sharing), providing coordinated access to large data resources and enabling novel online exploration (coupling computing, data and instruments online). Here, we illustrate this potential by describing two applications: the use of desktop PC grid technologies for virtual screening, and distributed X-ray structure reconstruction and online visualization.

Mesh：

Year:  2002        PMID： 12546902     DOI： 10.1016/s1359-6446(02)02369-3

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN： 1359-6446            Impact factor:   7.851


  6 in total

1.  Defragged Binary I Ching Genetic Code Chromosomes Compared to Nirenberg's and Transformed into Rotating 2D Circles and Squares and into a 3D 100% Symmetrical Tetrahedron Coupled to a Functional One to Discern Start From Non-Start Methionines through a Stella Octangula.

Authors:  Fernando Castro-Chavez
Journal:  J Proteome Sci Comput Biol       Date:  2012

Review 2.  Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge space?

Authors:  Lyn-Marie Birkholtz; Olivier Bastien; Gordon Wells; Delphine Grando; Fourie Joubert; Vinod Kasam; Marc Zimmermann; Philippe Ortet; Nicolas Jacq; Nadia Saïdani; Sylvaine Roy; Martin Hofmann-Apitius; Vincent Breton; Abraham I Louw; Eric Maréchal
Journal:  Malar J       Date:  2006-11-17       Impact factor: 2.979

3.  Distributed Drug Discovery, Part 1: linking academia and combinatorial chemistry to find drug leads for developing world diseases.

Authors:  William L Scott; Martin J O'Donnell
Journal:  J Comb Chem       Date:  2009 Jan-Feb

4.  Insilico docking study of compounds elucidated from helicteres isora fruits with ampkinase- insulin receptor.

Authors:  Subramanium Vennila; Giridharan Bupesh; Krishnan Saravanamurali; Viajayan SenthilKumar; Ramalingam SenthilRaja; Natarajan Saran; Sachidanandam Magesh
Journal:  Bioinformation       Date:  2014-05-20

5.  Search for β2 adrenergic receptor ligands by virtual screening via grid computing and investigation of binding modes by docking and molecular dynamics simulations.

Authors:  Qifeng Bai; Yonghua Shao; Dabo Pan; Yang Zhang; Huanxiang Liu; Xiaojun Yao
Journal:  PLoS One       Date:  2014-09-17       Impact factor: 3.240

6.  Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein.

Authors:  Mohammad Uzzal Hossain; Md Arif Khan; S M Rakib-Uz-Zaman; Mohammad Tuhin Ali; Md Saidul Islam; Chaman Ara Keya; Md Salimullah
Journal:  Biomed Res Int       Date:  2016-02-28       Impact factor: 3.411
  6 in total

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