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.The goal of the VO is to develop an effective infrastructure for conducting in silico calculations of molecular dynamics (MD) of biological macromolecules (proteins, nucleic acids and their complexes) in water-ion environment in 100 ns timescale.

Researchers should cite this work as follows:

• (2024), "MolDynGrid virtual laboratory," https://sciencegateways.org/resources/moldyngridvirtuallaboratory.

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1. Bioinformatics
2. MolDynGrid
3. Protein structure
4. Ukraine computing clusters