• DocumentCode
    598719
  • Title

    Cloud computing model and implementation of molecular dynamics simulation using Amber and Gromacs

  • Author

    Wibisono, A. ; Suhartanto, Heru

  • Author_Institution
    Fac. of Comput. Sci., Univ. Indonesia, Depok, Indonesia
  • fYear
    2012
  • fDate
    1-2 Dec. 2012
  • Firstpage
    31
  • Lastpage
    36
  • Abstract
    Molecular dynamics simulation is a simulation modeling of proteins and some chemical compounds in the pharmaceutical field. Molecular dynamics simulations are used as a way for drug discovery. This paper is going to propose about cloud computing model of molecular dynamics simulations using Amber and Gromacs. Cloud computing applications can be used as a bridge between molecular dynamics applications running on parallel computing and a multiplatform client, so that end-users can use the applications of molecular dynamics simulations easily.
  • Keywords
    chemistry computing; cloud computing; digital simulation; drugs; molecular dynamics method; multiprocessing systems; parallel processing; pharmaceutical industry; Amber; Gromacs; chemical compounds simulation modeling; cloud computing model; drug discovery; molecular dynamics simulation; multiplatform client; parallel computing; pharmaceutical field; proteins simulation modeling; Cloud computing; Computational modeling; Dynamics; Manuals; Proteins; Solvents; Web servers;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Advanced Computer Science and Information Systems (ICACSIS), 2012 International Conference on
  • Conference_Location
    Depok
  • Print_ISBN
    978-1-4673-3026-8
  • Type

    conf

  • Filename
    6468763