%0 Journal Article %T A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics %A Purawat, Shweta %A Ieong, Pek U %A Malmstrom, Robert D. %A Chan, Garrett J. %A Yeung, Alan K. %A Walker, Ross C. %A Altintas, Ilkay %A Amaro, Rommie E. %J Biophysical Journal %@ 0006-3495 %D 2017-06-01 %I Elsevier BV %~ DeepDyve