MolDynGrid virtual laboratory was established in 2008 for interdisciplinary researches in computational structural biology and bioinformatics, which required a high processing power and immense storage space. In particular, this involves molecular dynamics simulations of biological macromolecules such as proteins, nucleic acids and their complexes. It is also important to compare MD simulations results with experimental NMR spectroscopy data on proteins dynamics. MolDynGrid virtual laboratory was established as a part of Ukrainian Academic Grid infrastructure. Laboratory?s main aim is to provide an efficient utilization of Grid infrastructure for automation of MD job processing. It will assist biologists in using Grid for their needs without requiring them to be familiar with highly complicated IT internals.