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Andrea Rizzi

Formats
  1. Journal Article (8)
  2. Meeting Abstract (2)
Groups
  1. MSK Grad Students (10)
  2. Computational Biology Program Faculty (9)
  3. GSK Faculty (9)
  4. Sloan Kettering Institute Faculty (9)
  5. Center for Molecular Imaging and Biotechnology (7)
  6. Sloan Kettering Institute Postdocs (3)

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People
  1. John Chodera (9)
  2. Alexandra Schurer (2)
  3. Arthur Chow (2)
  4. Christina Leslie (2)
  5. Christina Rotsides (2)
  6. Christopher Famulare (2)

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Years
  1. 2021 (2)
  2. 2020 (2)
  3. 2019 (2)
  4. 2018 (3)
  5. 2016 (1)
Publications
  1. Journal of Computer-Aided Molecular Design (4)
  2. Journal of Chemical Theory and Computation (2)
  3. Biophysical Journal (1)
  4. Blood (1)
  5. Journal of Chemical Information and Modeling (1)
  6. Nature Communications (1)
Publishers
  1. Springer (4)
  2. American Chemical Society (3)
  3. American Society of Hematology (1)
  4. Cell Press (1)
  5. Nature Publishing Group (1)

Results (10)

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  • Development and benchmarking of Open Force Field v1.0.0-the Parsley small-molecule force field
    Journal Article

    Qiu, Y.; Smith, D. G. A.; Boothroyd, S.; Jang, H.; Hahn, D. F.; Wagner, J.; Bannan, C. C.; Gokey, T.; Lim, V. T.; Stern, C. D.; more...
    Journal of Chemical Theory and Computation (2021)

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  • Overview of the SAMPL6 pK a challenge: Evaluating small molecule microscopic and macroscopic pK a predictions
    Journal Article

    Işık, M.; Rustenburg, A. S.; Rizzi, A.; Gunner, M. R.; Mobley, D. L.; Chodera, J. D.
    Journal of Computer-Aided Molecular Design (2021)

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  • Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge
    Journal Article

    Işık, M.; Bergazin, T. D.; Fox, T.; Rizzi, A.; Chodera, J. D.; Mobley, D. L.
    Journal of Computer-Aided Molecular Design (2020)

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  • The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations
    Journal Article

    Rizzi, A.; Jensen, T.; Slochower, D. R.; Aldeghi, M.; Gapsys, V.; Ntekoumes, D.; Bosisio, S.; Papadourakis, M.; Henriksen, N. M.; de Groot, B. L.; more...
    Journal of Computer-Aided Molecular Design (2020)

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  • Computational fluorine scanning using free-energy perturbation
    Journal Article

    Wade, A. D.; Rizzi, A.; Wang, Y.; Huggins, D. J.
    Journal of Chemical Information and Modeling (2019)

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  • Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia
    Journal Article

    Minuesa, G.; Albanese, S. K.; Xie, W.; Kazansky, Y.; Worroll, D.; Chow, A.; Schurer, A.; Park, S. M.; Rotsides, C. Z.; Taggart, J.; more...
    Nature Communications (2019)

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  • Small-molecule targeting of Musashi RNA-binding activity in acute myeloid leukemia
    Meeting Abstract

    Dinares, G. M.; Albanese, S. K.; Chow, A.; Schurer, A.; Park, S. M.; Rotsides, C. Z.; Taggart, J.; Rizzi, A.; Naden, L. N.; Chou, T.; more...
    Blood (2018)

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  • Overview of the SAMPL6 host-guest binding affinity prediction challenge
    Journal Article

    Rizzi, A.; Murkli, S.; McNeill, J. N.; Yao, W.; Sullivan, M.; Gilson, M. K.; Chiu, M. W.; Isaacs, L.; Gibb, B. C.; Mobley, D. L.; more...
    Journal of Computer-Aided Molecular Design (2018)

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  • Escaping atom types in force fields using direct chemical perception
    Journal Article

    Mobley, D. L.; Bannan, C. C.; Rizzi, A.; Bayly, C. I.; Chodera, J. D.; Lim, V. T.; Lim, N. M.; Beauchamp, K. A.; Slochower, D. R.; Shirts, M. R.; more...
    Journal of Chemical Theory and Computation (2018)

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  • Dissecting the contribution of kinase conformational reorganization energies to inhibitor selectivity
    Meeting Abstract

    Hanson, S. M.; Rodriguez, L.; Behr, J. M.; Rizzi, A.; Parton, D. L.; Beauchamp, K. A.; Fass, J. H.; Prinz, J. H.; Boyce, S. E.; Seeliger, M. A.; more...
    Biophysical Journal (2016)

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