SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

Maxwell I. Zimmerman, Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L. Mallimadugula, Catherine E. Kuhn, Jonathan H. Borowsky, Rafal P. Wiewiora, Matthew F. D. Hurley, Aoife M. Harbison, Carl A. Fogarty, Joseph E. Coffland, Elisa Fadda, Vincent A. Voelz, John D. Chodera, Gregory R. Bowman

Open source

DOI
10.1038/s41557-021-00707-0
Published
2021-05-24
Container
Nature Chemistry
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1038/s41557-021-00707-0,
  title = {SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome},
  author = {Maxwell I. Zimmerman and Justin R. Porter and Michael D. Ward and Sukrit Singh and Neha Vithani and Artur Meller and Upasana L. Mallimadugula and Catherine E. Kuhn and Jonathan H. Borowsky and Rafal P. Wiewiora and Matthew F. D. Hurley and Aoife M. Harbison and Carl A. Fogarty and Joseph E. Coffland and Elisa Fadda and Vincent A. Voelz and John D. Chodera and Gregory R. Bowman},
  year = {2021},
  journal = {Nature Chemistry},
  doi = {10.1038/s41557-021-00707-0},
  url = {https://doi.org/10.1038/s41557-021-00707-0}
}

RIS

TY  - JOUR
TI  - SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
AU  - Maxwell I. Zimmerman
AU  - Justin R. Porter
AU  - Michael D. Ward
AU  - Sukrit Singh
AU  - Neha Vithani
AU  - Artur Meller
AU  - Upasana L. Mallimadugula
AU  - Catherine E. Kuhn
AU  - Jonathan H. Borowsky
AU  - Rafal P. Wiewiora
AU  - Matthew F. D. Hurley
AU  - Aoife M. Harbison
AU  - Carl A. Fogarty
AU  - Joseph E. Coffland
AU  - Elisa Fadda
AU  - Vincent A. Voelz
AU  - John D. Chodera
AU  - Gregory R. Bowman
PY  - 2021
JO  - Nature Chemistry
DO  - 10.1038/s41557-021-00707-0
UR  - https://doi.org/10.1038/s41557-021-00707-0
ER  - 

APA

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., Hurley, M. F. D., Harbison, A. M., Fogarty, C. A., Coffland, J. E., Fadda, E., Voelz, V. A., Chodera, J. D., & Bowman, G. R. (2021). SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome. Nature Chemistry. https://doi.org/10.1038/s41557-021-00707-0

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