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Mike Henry

Formats
  1. Journal Article (7)
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 (4)
  2. 2023 (2)
  3. 2022 (1)
Publications
  1. Chemical Science (2)
  2. Journal of Chemical Theory and Computation (2)
  3. Journal of Chemical Information and Modeling (1)
  4. Journal of Physical Chemistry B (1)
  5. Science (1)
Publishers
  1. American Chemical Society (4)
  2. Royal Society of Chemistry (2)
  3. American Association for the Advancement of Science (1)

Results (7)

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  • Konnektor: A framework for using graph theory to plan networks for free energy calculations
    Journal Article

    Ries, B.; Gowers, R. J.; Baumann, H. M.; Swenson, D. W. H.; Henry, M. M.; Eastwood, J. R. B.; Alibay, I.; Mobley, D.
    Journal of Chemical Information and Modeling (2024)

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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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  • Kartograf: A geometrically accurate atom mapper for hybrid-topology relative free energy calculations
    Journal Article

    Ries, B.; Alibay, I.; Swenson, D. W. H.; Baumann, H. M.; Henry, M. M.; Eastwood, J. R. B.; Gowers, R. J.
    Journal of Chemical Theory and Computation (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)

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  • 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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