SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome. Zimmerman, M. I, Porter, J. R, Ward, M. D, Singh, S., Vithani, N., Meller, A., Mallimadugula, U. L, Kuhn, C. E, Borowsky, J. H, Wiewiora, R. P, & others Nature chemistry, 13(7):651–659, Nature Publishing Group, 2021.
bibtex   
@article{zimmerman2021sars,
  title={SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome},
  author={Zimmerman, Maxwell I and Porter, Justin R and Ward, Michael D and Singh, Sukrit and Vithani, Neha and Meller, Artur and Mallimadugula, Upasana L and Kuhn, Catherine E and Borowsky, Jonathan H and Wiewiora, Rafal P and others},
  journal={Nature chemistry},
  volume={13},
  number={7},
  pages={651--659},
  year={2021},
  publisher={Nature Publishing Group}
}

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