Search Within

John Damon Chodera

Formats
  1. Journal Article (74)
  2. Meeting Abstract (35)
  3. Review (7)
  4. Correspondence (1)
  5. Editorial (1)
  6. Guidelines (1)
  7. Research Letter (1)
Groups
  1. Center for Molecular Imaging and Biotechnology (CMIB) (120)
  2. Computational and Structural Biology Program Faculty (120)
  3. GSK Faculty (120)
  4. Sloan Kettering Institute Faculty (120)
  5. MSK Grad Students (65)
  6. Sloan Kettering Institute Postdocs (35)

More Groups

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

More People

Years
  1. 2025 (5)
  2. 2024 (9)
  3. 2023 (10)
  4. 2022 (11)
  5. 2021 (12)
  6. 2020 (7)

More Years

Publications
  1. Biophysical Journal (21)
  2. Journal of Chemical Theory and Computation (14)
  3. Journal of Computer-Aided Molecular Design (13)
  4. Abstracts of Papers of the American Chemical Society (11)
  5. Journal of Chemical Information and Modeling (7)
  6. Journal of Physical Chemistry B (7)

More Publications

Publishers
  1. American Chemical Society (42)
  2. Cell Press (24)
  3. Springer (15)
  4. Nature Publishing Group (11)
  5. Royal Society of Chemistry (4)
  6. eLife Sciences Publications Ltd. (4)

More Publishers

Results (120)


Citation style sort is year ascending, and then by author or title. Author ascending is default.
  • Predicting targeted kinase inhibitor resistance to clinical ABL mutations using alchemical free-energy calculations
    Meeting Abstract

    Hauser, K.; Negron, C.; Albanese, S.; Ray, S.; Wang, L. L.; Lupyan, D.; Steinbrecher, T.; Abel, R.; Chodera, J.
    Abstracts of Papers of the American Chemical Society (2018)

    Fulltext@MSK | Save
  • Acquired resistance to IDH inhibition through trans or cis dimer-interface mutations
    Journal Article

    Intlekofer, A. M.; Shih, A. H.; Wang, B.; Nazir, A.; Rustenburg, A. S.; Albanese, S. K.; Patel, M.; Famulare, C.; Correa, F. M.; Takemoto, N.; more...
    Nature (2018)

    Fulltext@MSK | Save
  • Biomolecular simulations under realistic macroscopic salt conditions
    Journal Article

    Ross, G. A.; Rustenburg, A. S.; Grinaway, P. B.; Fass, J.; Chodera, J. D.
    Journal of Physical Chemistry B (2018)

    Fulltext@MSK | Save
  • Binding modes of ligands using enhanced sampling (BLUES): Rapid decorrelation of ligand binding modes via nonequilibrium candidate Monte Carlo
    Journal Article

    Gill, S. C.; Lim, N. M.; Grinaway, P. B.; Rustenburg, A. S.; Fass, J.; Ross, G. A.; Chodera, J. D.; Mobley, D. L.
    Journal of Physical Chemistry B (2018)

    Fulltext@MSK | Save
  • 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)

    Fulltext@MSK | Save
  • Quantitative self-assembly prediction yields targeted nanomedicines
    Journal Article

    Shamay, Y.; Shah, J.; Işık, M.; Mizrachi, A.; Leibold, J.; Tschaharganeh, D. F.; Roxbury, D.; Budhathoki-Uprety, J.; Nawaly, K.; Sugarman, J. L.; more...
    Nature Materials (2018)

    Fulltext@MSK | Save
  • Improving force field parameterization with Bayesian inference for chemical perception
    Meeting Abstract

    Bannan, C.; Zanette, C.; Bayly, C.; Fass, J.; Gilson, M.; Shirts, M.; Chodera, J.; Mobley, D.
    Abstracts of Papers of the American Chemical Society (2017)

    Fulltext@MSK | Save
  • 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)

    Fulltext@MSK | Save
  • 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)

    Fulltext@MSK | Save
  • 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)

    Fulltext@MSK | Save