Journal of Physical Chemistry B

Published by: American Chemical Society  

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

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  1. John Chodera (7)
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  1. American Chemical Society (10)

Results (10)


Citation style sort is year ascending, and then by author or title. Author ascending is default.
  • Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding
    Journal Article

    Singh, S.; Gapsys, V.; Aldeghi, M.; Schaller, D.; Rangwala, A. M.; White, J. B.; Bluck, J. P.; Scheen, J.; Glass, W. G.; Guo, J.; more...
    Journal of Physical Chemistry B (2025)

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  • ModeHunter: A package for the reductionist analysis, animation, and application of elastic biomolecular motion
    Review

    Wriggers, W.; Alshammari, M.; Stember, J. N.; Stolzenberg, S.; Metwally, E.; Auer, M.; He, J.; Weinstein, H.
    Journal of Physical Chemistry B (2025)

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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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  • 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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  • Toward automated benchmarking of atomistic force fields: Neat liquid densities and static dielectric constants from the ThermoML data archive
    Journal Article

    Beauchamp, K. A.; Behr, J. M.; Rustenburg, A. S.; Bayly, C. I.; Kroenlein, K.; Chodera, J. D.
    Journal of Physical Chemistry B (2015)

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  • Time step rescaling recovers continuous-time dynamical properties for discrete-time Langevin integration of nonequilibrium systems
    Journal Article

    Sivak, D. A.; Chodera, J. D.; Crooks, G. E.
    Journal of Physical Chemistry B (2014)

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  • Systematic improvement of a classical molecular model of water
    Journal Article

    Wang, L. P.; Head-Gordon, T.; Ponder, J. W.; Ren, P.; Chodera, J. D.; Eastman, P. K.; Martinez, T. J.; Pande, V. S.
    Journal of Physical Chemistry B (2013)

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  • Lysozyme protein solution with an intermediate range order structure
    Journal Article

    Liu, Y.; Porcar, L.; Chen, J.; Chen, W. R.; Falus, P.; Faraone, A.; Fratini, E.; Hong, K.; Baglioni, P.
    Journal of Physical Chemistry B (2011)

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  • The mesoscopic dynamics of thermodynamic systems
    Journal Article

    Reguera, D.; Rubi, J. M.; Vilar, J. M. G.
    Journal of Physical Chemistry B (2005)

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    • Journal of Physical Chemistry B – authorized name for:

    Name ISSN / ISBN Publisher
    Journal of Physical Chemistry B 15206106 American Chemical Society
    Journal of Physical Chemistry B 1520-6106 American Chemical Society
    Journal of Physical Chemistry B 15205207 American Chemical Society
    Journal of Physical Chemistry B 1520-6106 American Chemical Society
    Journal of Physical Chemistry B 10895647 Unknown
    Journal of Physical Chemistry B 1520-6106 American Chemical Society
    Journal of Physical Chemistry B 15206106 American Chemical Society