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Joshua Hanna Fass

  1. "MSK Grad Students"
Formats
  1. Journal Article (7)
  2. Meeting Abstract (3)
Groups
  1. GSK Faculty (10)
  2. MSK Grad Students (10)
  3. Sloan Kettering Institute Faculty (10)
  4. Center for Molecular Imaging and Biotechnology (9)
  5. Computational Biology Program Faculty (9)
  6. Sloan Kettering Institute Postdocs (6)

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People
  1. John Chodera (9)
  2. Arien Rustenburg (2)
  3. Gregory Ross (2)
  4. Patrick Grinaway (2)
  5. Sonya Hanson (2)
  6. Alex Kentsis (1)

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Years
  1. 2024 (1)
  2. 2022 (1)
  3. 2021 (1)
  4. 2019 (1)
  5. 2018 (3)
  6. 2017 (2)

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Publications
  1. Biophysical Journal (2)
  2. Chemical Science (2)
  3. Journal of Physical Chemistry B (2)
  4. Abstracts of Papers of the American Chemical Society (1)
  5. Entropy (1)
  6. Journal of Chemical Theory and Computation (1)

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Publishers
  1. American Chemical Society (5)
  2. Cell Press (2)
  3. Royal Society of Chemistry (2)
  4. MDPI (1)

Results (10)

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  • Proteomic barcoding platform for macromolecular screening and delivery
    Journal Article

    Wang, N.; McNeer, N. A.; Eton, E.; Fass, J.; Kentsis, A.
    Journal of Proteome Research (2024)

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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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  • Fitting quantum machine learning potentials to experimental free energy data: Predicting tautomer ratios in solution
    Journal Article

    Wieder, M.; Fass, J.; Chodera, J. D.
    Chemical Science (2021)

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  • Toward learned chemical perception of force field typing rules
    Journal Article

    Zanette, C.; Bannan, C. C.; Bayly, C. I.; Fass, J.; Gilson, M. K.; Shirts, M. R.; Chodera, J. D.; Mobley, D. L.
    Journal of Chemical Theory and Computation (2019)

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  • Quantifying configuration-sampling error in Langevin simulations of complex molecular systems
    Journal Article

    Fass, J.; Sivak, D. A.; Crooks, G. E.; Beauchamp, K. A.; Leimkuhler, B.; Chodera, J. D.
    Entropy (2018)

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  • 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)

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  • 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)

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  • 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)

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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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  • 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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