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PROCEDIA
2010
140views more  PROCEDIA 2010»
12 years 11 months ago
Theoretical enzyme design using the Kepler scientific workflows on the Grid
One of the greatest challenges in computational chemistry is the design of enzymes to catalyze non-natural chemical reactions. We focus on harnessing the distributed parallel comp...
Jianwu Wang, Prakashan Korambath, Seonah Kim, Scot...
SC
2009
ACM
13 years 11 months ago
Robust workflows for science and engineering
Scientific workflow tools allow users to specify complex computational experiments and provide a good framework for robust science and engineering. Workflows consist of pipelines ...
David Abramson, Blair Bethwaite, Colin Enticott, S...