Title :
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
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;
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
DOI :
10.1109/IDAACS.2009.5342989
