MolDynGrid Virtual Laboratory was established for interdisciplinary researches in computational structural biology and bioinformatics, which required a high processing power and immense storage space. MolDynGrid is one of the first web-oriented virtual laboratories (VL) in Ukrainian National Grid (UNG) infrastructure dedicated to computational structural biology and bioinformatics, particularly to molecular dynamics (MD) simulations of biological macromolecules and their complexes. The project goal is providing efficient infrastructure for automation of MD simulations and trajectories analysis in Grid computing environment NorduGrid ARC as well as EGI-based. In addition to standard MD analysis techniques provided by the GROMACS package, MolDynGrid VL features advanced analysis tools such as Pteros molecular modeling library and Distributed Analyzer Script (DAS).
Status: Active
Start Date: 2008
End Date: till now
Infrastructures: UNG, EGI, NorduGrid
Workgroup: Andrii Salnikov, Oleksandr Savytskyi, Ievgen Sliusar
Head of Project: Prof. Alexander I. Kornelyuk
Presentation: PDF
Website: http://moldyngrid.org/
References:
[1] Savytskyi, O. V., Sliusar, I. A., Yesylevskyy, S. O., Stirenko, S. G., & Kornelyuk, A. I. (2011). INTEGRATED TOOLS FOR MOLECULAR DYNAMICS SIMULATION DATA ANALYSIS IN THE MOLDYNGRID VIRTUAL LABORATORY. Proceedings of the 6-th IEEE International Conference on Intelligent Data Acquisition and Advanced Computing Systems: Technology and Applications, IDAACS 2011, 1, 209-211. PDF
[2] Salnikov, A., Sliusar, I., Sudakov, O., Savytskyi, O., & Kornelyuk, A. (2010). VIRTUAL LABORATORY MOLDYNGRID AS A PART OF SCIENTIFIC INFRASTRUCTURE FOR BIOMOLECULAR SIMULATIONS. International Journal of Computing, 9(4), 294-300. PDF
[3] Salnikov, A. O., Sliusar, I. A., Sudakov, O. O., Savytskyi, O. V., & Kornelyuk, A. I. (2009). MOLDYNGRID VIRTUAL LABORATORY AS A PART OF UKRAINIAN ACADEMIC GRID INFRASTRUCTURE. Proceedings of the 5th IEEE International Workshop on Intelligent Data Acquisition and Advanced Computing Systems: Technology and Applications, IDAACS 2009, 1, 237-240. PDF (Please cite this paper as first priority for SCOPUS)
