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Mike Henry

  1. "Computational Biology Program Faculty"
Formats
  1. Journal Article (5)
Groups
  1. Center for Molecular Imaging and Biotechnology (5)
  2. Computational Biology Program Faculty (5)
  3. GSK Faculty (5)
  4. MSK Grad Students (5)
  5. Sloan Kettering Institute Faculty (5)
  6. Sloan Kettering Institute Postdocs (4)
People
  1. John Chodera (5)
  2. Ivan Pulido Sanchez (4)
  3. Ivy Zhang (4)
  4. Dominic Rufa (3)
  5. Sukrit Singh (3)
  6. Alexander Payne (2)

More People

Years
  1. 2024 (2)
  2. 2023 (2)
  3. 2022 (1)
Publications
  1. Chemical Science (2)
  2. Journal of Chemical Theory and Computation (1)
  3. Journal of Physical Chemistry B (1)
  4. Science (1)
Publishers
  1. American Chemical Society (2)
  2. Royal Society of Chemistry (2)
  3. American Association for the Advancement of Science (1)

Results (5)

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  • Machine-learned molecular mechanics force fields from large-scale quantum chemical data
    Journal Article

    Takaba, K.; Friedman, A. J.; Cavender, C. E.; Behara, P. K.; Pulido, I.; Henry, M. M.; MacDermott-Opeskin, H.; Iacovella, C. R.; Nagle, A. M.; Payne, A. M.; more...
    Chemical Science (2024)

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  • OpenMM 8: Molecular dynamics simulation with machine learning potentials
    Journal Article

    Eastman, P.; Galvelis, R.; Peláez, R. P.; Abreu, C. R. A.; Farr, S. E.; Gallicchio, E.; Gorenko, A.; Henry, M. M.; Hu, F.; Huang, J.; more...
    Journal of Physical Chemistry B (2024)

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  • Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
    Journal Article

    Boby, M. L.; Fearon, D.; Ferla, M.; Filep, M.; Koekemoer, L.; Robinson, M. C.; The COVID Moonshot Consortium; Chodera, J. D.; Lee, A. A.; London, N.; more...
    Science (2023)

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  • Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex
    Journal Article

    Zhang, I.; Rufa, D. A.; Pulido, I.; Henry, M. M.; Rosen, L. E.; Hauser, K.; Singh, S.; Chodera, J. D.
    Journal of Chemical Theory and Computation (2023)

    Fulltext@MSK | Save
  • End-to-end differentiable construction of molecular mechanics force fields
    Journal Article

    Wang, Y.; Fass, J.; Kaminow, B.; Herr, J. E.; Rufa, D.; Zhang, I.; Pulido, I.; Henry, M.; Bruce Macdonald, H. E.; Takaba, K.; more...
    Chemical Science (2022)

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