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Sukrit Singh

Formats
  1. Journal Article (7)
  2. Meeting Abstract (1)
Groups
  1. Sloan Kettering Institute Postdocs (8)
  2. GSK Faculty (6)
  3. Sloan Kettering Institute Faculty (5)
  4. Center for Molecular Imaging and Biotechnology (4)
  5. Computational Biology Program Faculty (4)
  6. MSK Grad Students (3)

More Groups

People
  1. John Chodera (5)
  2. Ivy Zhang (3)
  3. Mike Henry (3)
  4. Dominic Rufa (2)
  5. Ivan Pulido Sanchez (2)
  6. William Glass (2)

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Years
  1. 2025 (1)
  2. 2024 (3)
  3. 2023 (4)
Publications
  1. Journal of Physical Chemistry B (2)
  2. Biophysical Journal (1)
  3. Digital Discovery (1)
  4. Journal of Chemical Theory and Computation (1)
  5. Nature (1)
  6. Science (1)

More Publications

Publishers
  1. American Chemical Society (3)
  2. American Association for the Advancement of Science (1)
  3. Cell Press (1)
  4. Nature Publishing Group (1)
  5. Royal Society of Chemistry (1)
  6. eLife Sciences Publications Ltd. (1)

Results (8)

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  • 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)

    Fulltext@MSK | Save
  • Parsing mechanisms of cancer drug resistance using distributed supercomputing
    Meeting Abstract

    Singh, S.
    Biophysical Journal (2024)

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  • Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
    Journal Article

    Nigam, A.; Hurley, M. F. D.; Li, F.; Konkoľova, E.; Klima, M.; Trylcova, J.; Pollice, R.; Cinaroglu, S. S.; Levin-Konigsberg, R.; Handjaya, J.; more...
    Digital Discovery (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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  • Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting
    Journal Article

    Outhwaite, I. R.; Singh, S.; Berger, B. T.; Knapp, S.; Chodera, J. D.; Seeliger, M. A.
    eLife (2023)

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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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  • MEN1 mutations mediate clinical resistance to menin inhibition
    Journal Article

    Perner, F.; Stein, E. M.; Wenge, D. V.; Singh, S.; Kim, J.; Apazidis, A.; Rahnamoun, H.; Anand, D.; Marinaccio, C.; Hatton, C.; more...
    Nature (2023)

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