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Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations

3 January 2018

Papers citing "Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations"

3 / 3 papers shown

Title
Design and Performance Characterization of RADICAL-Pilot on Titan André Merzky Matteo Turilli Manuel Maldonado S. Jha 38 8 0 05 Jan 2018
High-throughput Binding Affinity Calculations at Extreme Scales J. Dakka Matteo Turilli D. Wright S. Zasada Vivek Balasubramanian S. Wan P. V. Coveney S. Jha 32 21 0 26 Dec 2017
Harnessing the Power of Many: Extensible Toolkit for Scalable Ensemble Applications Vivek Balasubramanian Matteo Turilli Weiming Hu M. Lefebvre W. Lei G. Cervone J. Tromp S. Jha 33 46 0 23 Oct 2017