Progress towards Automated Kepler Scientific Workflows for Computer-aided Drug Discovery and Molecular Simulations. - Pek U. Ieong; Jesper Sørensen; Prasantha L. Vemu; Celia W. Wong; Özlem Demir; Nadya P. Williams; Jianwu Wang 001; Daniel Crawl; Robert V. Swift; Robert D. Malmstrom; Ilkay Altintas; Rommie E. Amaro (ICCS, 2014)