1 Result

People

  1. Chodera
    Chodera
  2. Fass
    Fass
  3. Wieder
    Wieder

Groups

  1. Center for Molecular Imaging and Biotechnology (1)
  2. Computational Biology Program Faculty (1)
  3. GSK Faculty (1)
  4. MSK Grad Students (1)
  5. Sloan Kettering Institute Faculty (1)
  1. "molecular-orbital methods"
Formats
  1. Journal Article (1)
Groups
  1. Center for Molecular Imaging and Biotechnology (1)
  2. Computational Biology Program Faculty (1)
  3. GSK Faculty (1)
  4. MSK Grad Students (1)
  5. Sloan Kettering Institute Faculty (1)
People
  1. John Chodera (1)
  2. Joshua Fass (1)
  3. Marcus Wieder (1)
Years
  1. 2021 (1)
Publications
  1. Chemical Science (1)
Publishers
  1. Royal Society of Chemistry (1)

Results (1)


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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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