MolDynGrid virtual laboratory as a part of Ukrainian Academic Grid infrastructure

Author

Salnikov, A.O. ; Sliusar, I.A. ; Sudakov, O.O. ; Savytskyi, O.V. ; Kornelyuk, A.I.

Author_Institution

Inf. & Comput. Center, Nat. Taras Shevchenko Univ. of Kyiv, Kiev, Ukraine

fYear

2009

fDate

21-23 Sept. 2009

Firstpage

237

Lastpage

240

Abstract

MolDynGrid virtual laboratory has been established for collaborative research in computational biology and bioinformatics that requires high processing power and huge storage space. This research involves molecular dynamics (MD) simulations of biological macromolecules, such as proteins, nucleic acids and their complexes. Also, a comparison of MD simulation results with experimental NMR spectroscopy data is proposed. The main aim of MolDynGrid virtual laboratory is to provide an efficient infrastructure for automation of MD job processing in Grid. It will assist research workers to use Grid for their needs without having them to be familiar with highly complicated internals of the Grid.

Keywords

biology computing; computer aided instruction; grid computing; laboratory techniques; molecular dynamics method; virtual reality; MolDynGrid virtual laboratory; NMR spectroscopy data; academic Grid infrastructure; bioinformatics; biological macromolecules simulations; computational biology; molecular dynamics simulation; Bioinformatics; Biological system modeling; Collaboration; Computational biology; Computational modeling; Laboratories; Molecular biophysics; Nuclear magnetic resonance; Proteins; Spectroscopy; GROMACS; Grid; molecular dynamics; virtual laboratory; web-portal;

fLanguage

English

Publisher

ieee

Conference_Titel

Intelligent Data Acquisition and Advanced Computing Systems: Technology and Applications, 2009. IDAACS 2009. IEEE International Workshop on

Conference_Location

Rende

Print_ISBN

978-1-4244-4901-9

Electronic_ISBN

978-1-4244-4882-1

Type

conf

DOI

10.1109/IDAACS.2009.5342989

Filename

5342989