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PROCEDIA
2010
140views more  PROCEDIA 2010»
13 years 2 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
14 years 2 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...