MolDynGrid virtual laboratory as a part of Ukrainian Academic Grid infrastructure

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.