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Rafal Wiewiora

Formats
  1. Journal Article (6)
  2. Meeting Abstract (4)
  3. Review (1)
Groups
  1. MSK Grad Students (11)
  2. Center for Molecular Imaging and Biotechnology (CMIB) (10)
  3. Computational and Structural Biology Program Faculty (10)
  4. GSK Faculty (10)
  5. Sloan Kettering Institute Faculty (10)
  6. Alan and Sandra Gerry Metastasis and Tumor Ecosystems Center (5)

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People
  1. John Chodera (10)
  2. Minkui Luo (5)
  3. Shi Chen (5)
  4. Kyle Beauchamp (3)
  5. Ana Silveira (1)
  6. Chaya Stern (1)

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Years
  1. 2021 (3)
  2. 2020 (1)
  3. 2019 (4)
  4. 2018 (1)
  5. 2017 (2)
Publications
  1. Biophysical Journal (3)
  2. Journal of Chemical Theory and Computation (2)
  3. eLife (2)
  4. ACS Chemical Biology (1)
  5. Abstracts of Papers of the American Chemical Society (1)
  6. Nature Chemistry (1)

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Publishers
  1. American Chemical Society (4)
  2. Cell Press (3)
  3. eLife Sciences Publications Ltd. (2)
  4. Nature Publishing Group (1)
  5. Public Library of Science (1)

Results (11)

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

    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.; more...
    Nature Chemistry (2021)

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  • Site-specific lipidation enhances IFITM3 membrane interactions and antiviral activity
    Journal Article

    Garst, E. H.; Lee, H.; Das, T.; Bhattacharya, S.; Percher, A.; Wiewiora, R.; Witte, I. P.; Li, Y.; Peng, T.; Im, W.; more...
    ACS Chemical Biology (2021)

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  • What Markov state models can and cannot do: Correlation versus path-based observables in protein-folding models
    Journal Article

    Suárez, E.; Wiewiora, R. P.; Wehmeyer, C.; Noé, F.; Chodera, J. D.; Zuckerman, D. M.
    Journal of Chemical Theory and Computation (2021)

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  • Machine learning force fields and coarse-grained variables in molecular dynamics: Application to materials and biological systems
    Review

    Gkeka, P.; Stoltz, G.; Barati Farimani, A.; Belkacemi, Z.; Ceriotti, M.; Chodera, J. D.; Dinner, A. R.; Ferguson, A. L.; Maillet, J. B.; Minoux, H.; more...
    Journal of Chemical Theory and Computation (2020)

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  • Markov models of functional dynamics of histone methyltransferases by millisecond-timescale molecular simulation and chemical probing
    Meeting Abstract

    Wiewiora, R.; Chen, S.; Luo, M.; Chodera, J.
    Abstracts of Papers of the American Chemical Society (2019)

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  • Ancestral reconstruction reveals mechanisms of ERK regulatory evolution
    Journal Article

    Sang, D.; Pinglay, S.; Wiewiora, R. P.; Selvan, M. E.; Lou, H. J.; Chodera, J. D.; Turk, B. E.; Gümüş, Z. H.; Holt, L. J.
    eLife (2019)

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  • The dynamic conformational landscape of the protein methyltransferase SETD8
    Journal Article

    Chen, S.; Wiewiora, R. P.; Meng, F.; Babault, N.; Ma, A.; Yu, W.; Qian, K.; Hu, H.; Zou, H.; Wang, J.; more...
    eLife (2019)

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  • Markov models of functional dynamics of histone lysine methyltransferases by millisecond-timescale molecular simulation and chemical probing
    Meeting Abstract

    Wiewiora, R. P.; Chen, S.; Luo, M.; Chodera, J. D.
    Biophysical Journal (2019)

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  • Conformational dynamics of histone methyltransferase SET8 probed by millisecond-timescale molecular dynamics, Markov state modeling and biochemical experiments
    Meeting Abstract

    Wiewiora, R. P.; Chen, S.; Luo, M.; Chodera, J. D.
    Biophysical Journal (2018)

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  • OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
    Journal Article

    Eastman, P.; Swails, J.; Chodera, J. D.; McGibbon, R. T.; Zhao, Y.; Beauchamp, K. A.; Wang, L. P.; Simmonett, A. C.; Harrigan, M. P.; Stern, C. D.; more...
    PLoS Computational Biology (2017)

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