Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations

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Cite this paper

@article{dakka2018,
  title = {Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations},
  author = {Jumana Dakka and Kristof Farkas-Pall and Matteo Turilli and David W. Wright and Peter V. Coveney and Shantenu Jha},
  journal = {eScience},
  year = {2018},
  month = {Jan},
  doi = {10.1109/escience.2018.00034},
  url = {https://doi.org/10.1109/escience.2018.00034},
}