Royal Society of Chemistry

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  1. Chodera
    Chodera
  2. Heller
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    David Shternberg
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  1. Journal Article (9)
Groups
  1. GSK Faculty (9)
  2. MSK Grad Students (9)
  3. Sloan Kettering Institute Faculty (7)
  4. Sloan Kettering Institute Postdocs (6)
  5. Molecular Pharmacology and Chemistry Program Faculty (4)
  6. Computational Biology Program Faculty (3)

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People
  1. John Chodera (3)
  2. Daniel Heller (2)
  3. Dominic Rufa (2)
  4. Hannah Bruce Macdonald (2)
  5. Joshua Fass (2)
  6. Melissa Boby (2)

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Years
  1. 2022 (1)
  2. 2021 (3)
  3. 2019 (2)
  4. 2018 (1)
  5. 2017 (2)
Publications
  1. Chemical Science (3)
  2. Chemical Communications (2)
  3. Journal of Materials Chemistry B (1)
  4. Nanoscale (1)
  5. Organic & Biomolecular Chemistry (1)
  6. RSC Medicinal Chemistry (1)

Results (9)


Citation style sort is year ascending, and then by author or title. Author ascending is default.
  • 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)

    Fulltext@MSK | Save
  • 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)

    Fulltext@MSK | Save
  • Deglycase-activity oriented screening to identify DJ-1 inhibitors
    Journal Article

    Maksimovic, I.; Finkin-Groner, E.; Fukase, Y.; Zheng, Q.; Sun, S.; Michino, M.; Huggins, D. J.; Myers, R. W.; David, Y.
    RSC Medicinal Chemistry (2021)

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  • Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model
    Journal Article

    Morris, A.; McCorkindale, W.; The COVID Moonshot Consortium; Drayman, N.; Chodera, J. D.; Tay, S.; London, N.; Lee, A. A.
    Chemical Communications (2021)

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  • Improved synthesis of the bifunctional chelator p-SCN-Bn-HOPO
    Journal Article

    Bhupathiraju, N. V. S. D. K.; Younes, A.; Cao, M.; Ali, J.; Cicek, H. T.; Tully, K. M.; Ponnala, S.; Babich, J. W.; Deri, M. A.; Lewis, J. S.; more...
    Organic & Biomolecular Chemistry (2019)

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  • Synthesis of bicyclic ethers by a palladium-catalyzed oxidative cyclization-redox relay-π-allyl-Pd cyclization cascade reaction
    Journal Article

    Lux, M. C.; Boby, M. L.; Brooks, J. L.; Tan, D. S.
    Chemical Communications (2019)

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  • Sonophore-enhanced nanoemulsions for optoacoustic imaging of cancer
    Journal Article

    Roberts, S.; Andreou, C.; Choi, C.; Donabedian, P.; Jayaraman, M.; Pratt, E. C.; Tang, J.; Pérez-Medina, C.; de la Cruz, M. J.; Mulder, W. J. M.; more...
    Chemical Science (2018)

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  • Redox-active nanomaterials for nanomedicine applications
    Journal Article

    Sims, C. M.; Hanna, S. K.; Heller, D. A.; Horoszko, C. P.; Johnson, M. E.; Montoro Bustos, A. R.; Reipa, V.; Riley, K. R.; Nelson, B. C.
    Nanoscale (2017)

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  • Polymer cloaking modulates the carbon nanotube protein corona and delivery into cancer cells
    Journal Article

    Budhathoki-Uprety, J.; Harvey, J. D.; Isaac, E.; Williams, R. M.; Galassi, T. V.; Langenbacher, R. E.; Heller, D. A.
    Journal of Materials Chemistry B (2017)

    Fulltext@MSK | Save