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...
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...