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Ivan Pulido Sanchez

  1. "Computational Biology Program Faculty"
Formats
  1. Journal Article (4)
  2. Meeting Abstract (3)
  3. Guidelines (1)
Groups
  1. Center for Molecular Imaging and Biotechnology (8)
  2. Computational Biology Program Faculty (8)
  3. GSK Faculty (8)
  4. Sloan Kettering Institute Faculty (8)
  5. MSK Grad Students (4)
  6. Sloan Kettering Institute Postdocs (3)
People
  1. John Chodera (8)
  2. Mike Henry (4)
  3. Benjamin Kaminow (3)
  4. Dominic Rufa (3)
  5. Ivy Zhang (3)
  6. Yuanqing Wang (3)

More People

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

Results (8)

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  • Development and benchmarking of a self-consistent force field for proteins and small molecules from open force field
    Meeting Abstract

    Cavender, C. E.; Behara, P. K.; Dotson, D. L.; Friedman, A. J.; Gokey, T.; Horton, J. T.; Pulido, I.; Thompson, M. W.; Wagner, J.; Wang, L.; more...
    Biophysical Journal (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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  • EspalomaCharge: Machine learning-enabled ultrafast partial charge assignment
    Guidelines

    Wang, Y.; Pulido, I.; Takaba, K.; Kaminow, B.; Scheen, J.; Wang, L.; Chodera, J. D.
    Journal of Physical Chemistry A (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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  • Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative
    Meeting Abstract

    Cavender, C. E.; Behara, P. K.; Boothroyd, S.; Dotson, D. L.; Horton, J. T.; Mitchell, J. A.; Pulido, I.; Thompson, M. W.; Wagner, J.; Wang, L.; more...
    Biophysical Journal (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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  • Building an open, self-consistent force field for biopolymers and small molecules with the open force field initiative infrastructure
    Meeting Abstract

    Cavender, C. E.; Behara, P. K.; Boothroyd, S.; Dotson, D. L.; Pulido, I. J.; Thompson, M. W.; Wagner, J.; Wang, L.; Chodera, J. D.; Mobley, D. L.; more...
    Biophysical Journal (2022)

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