Progress towards Automated Kepler Scientific Workflows for Computer-aided Drug Discovery and Molecular Simulations.

Pek U. Ieong, Jesper Srensen, Prasantha L. Vemu, Celia W. Wong, zlem Demir, Nadya P. Williams, Jianwu Wang, Daniel Crawl, Robert V. Swift, Robert D. Malmstrom, Ilkay Altintas, Rommie E. Amaro

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