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MSK Grad Students

  1. "John Chodera"
Formats
  1. Journal Article (47)
  2. Meeting Abstract (17)
  3. Review (1)
Groups
  1. GSK Faculty (65)
  2. Sloan Kettering Institute Faculty (65)
  3. Computational Biology Program Faculty (60)
  4. Center for Molecular Imaging and Biotechnology (56)
  5. Sloan Kettering Institute Postdocs (26)
  6. Center for Hematologic Malignancies (14)

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People
  1. John Chodera (65)
  2. Arien Rustenburg (14)
  3. Steven Albanese (12)
  4. Mehtap Isik (10)
  5. Rafal Wiewiora (10)
  6. Andrea Rizzi (9)

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Years
  1. 2024 (3)
  2. 2023 (3)
  3. 2022 (3)
  4. 2021 (10)
  5. 2020 (6)
  6. 2019 (8)

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Publications
  1. Biophysical Journal (10)
  2. Journal of Computer-Aided Molecular Design (10)
  3. Journal of Chemical Theory and Computation (6)
  4. Abstracts of Papers of the American Chemical Society (5)
  5. Journal of Physical Chemistry B (4)
  6. Chemical Science (3)

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Publishers
  1. American Chemical Society (17)
  2. Cell Press (12)
  3. Springer (10)
  4. Nature Publishing Group (8)
  5. Royal Society of Chemistry (4)
  6. eLife Sciences Publications Ltd. (3)

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Results (65)


Citation style sort is year ascending, and then by author or title. Author ascending is default.
  • 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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  • Can we automatically detect biologically relevant order parameters in molecular simulation? Comparing long timescale simulations of multiple kinases
    Meeting Abstract

    Hanson, S. M.; Fass, J. H.; Chodera, J. D.
    Biophysical Journal (2017)

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  • Conformational dynamics of histone lysine methyltransferases by millisecond-timescale molecular dynamics on Folding@home
    Meeting Abstract

    Wiewiora, R. P.; Chen, S.; Beauchamp, K.; Luo, M.; Chodera, J. D.
    Biophysical Journal (2017)

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  • L-2-hydroxyglutarate production arises from noncanonical enzyme function at acidic pH
    Journal Article

    Intlekofer, A. M.; Wang, B.; Liu, H.; Shah, H.; Carmona-Fontaine, C.; Rustenburg, A. S.; Salah, S.; Gunner, M. R.; Chodera, J. D.; Cross, J. R.; more...
    Nature Chemical Biology (2017)

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  • A water-mediated allosteric network governs activation of Aurora kinase A
    Journal Article

    Cyphers, S.; Ruff, E. F.; Behr, J. M.; Chodera, J. D.; Levinson, N. M.
    Nature Chemical Biology (2017)

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  • Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge
    Journal Article

    Rustenburg, A. S.; Dancer, J.; Lin, B.; Feng, J. A.; Ortwine, D. F.; Mobley, D. L.; Chodera, J. D.
    Journal of Computer-Aided Molecular Design (2016)

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  • Mechanistically distinct cancer-associated mTOR activation clusters predict sensitivity to rapamycin
    Journal Article

    Xu, J.; Pham, C. G.; Albanese, S. K.; Dong, Y.; Oyama, T.; Lee, C. H.; Rodrik-Outmezguine, V.; Yao, Z.; Han, S.; Chen, D.; more...
    Journal of Clinical Investigation (2016)

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  • Simulating mTOR hyperactivating mutations to understand functionally significant structural rearrangements
    Meeting Abstract

    Albanese, S.; Xu, J.; Hsieh, J.; Chodera, J. D.
    Biophysical Journal (2016)

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  • Bridging the gap between computation and experiments in GPCRs
    Meeting Abstract

    Stern, C. D.; Perez-Aguilar, J. M.; Blanchard, S. C.; Weinstein, H.; Chodera, J. D.
    Biophysical Journal (2016)

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  • Dissecting the contribution of kinase conformational reorganization energies to inhibitor selectivity
    Meeting Abstract

    Hanson, S. M.; Rodriguez, L.; Behr, J. M.; Rizzi, A.; Parton, D. L.; Beauchamp, K. A.; Fass, J. H.; Prinz, J. H.; Boyce, S. E.; Seeliger, M. A.; more...
    Biophysical Journal (2016)

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