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S. Gesing, Marton, I., Birkenheuer, G., Schuller, B., Grunzke, R., Krüger, J., Breuers, S., Blunk, D., Fels, G., Packschies, L., Brinkmann, A., Kohlbacher, O., and Kozlovszky, M., “Workflow Interoperability in a Grid Portal for Molecular Simulations”, in Proceedings of the International Workshop on Science Gateways (IWSG10), 2010.