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Mehtap Isik

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

More Groups

People
  1. John Chodera (10)
  2. Arien Rustenburg (3)
  3. Andrea Rizzi (2)
  4. Daniel Heller (2)
  5. Janki Shah (2)
  6. Januka Budhathoki Uprety (2)

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Years
  1. 2022 (1)
  2. 2021 (2)
  3. 2020 (3)
  4. 2018 (4)
Publications
  1. Journal of Computer-Aided Molecular Design (7)
  2. Abstracts of Papers of the American Chemical Society (1)
  3. Biochemistry (1)
  4. Nature Materials (1)
Publishers
  1. Springer (7)
  2. American Chemical Society (2)
  3. Nature Publishing Group (1)

Results (10)

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  • SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction
    Journal Article

    Grosjean, H.; Işık, M.; Aimon, A.; Mobley, D.; Chodera, J.; von Delft, F.; Biggin, P. C.
    Journal of Computer-Aided Molecular Design (2022)

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  • Automated high throughput pK(a) and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
    Journal Article

    Bahr, M. N.; Nandkeolyar, A.; Kenna, J. K.; Nevins, N.; Da Vià, L.; Işık, M.; Chodera, J. D.; Mobley, D. L.
    Journal of Computer-Aided Molecular Design (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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  • Octanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge
    Journal Article

    Işık, M.; Levorse, D.; Mobley, D. L.; Rhodes, T.; Chodera, J. D.
    Journal of Computer-Aided Molecular Design (2020)

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  • Standard state free energies, not pK(a)s, are ideal for describing small molecule protonation and tautomeric states
    Journal Article

    Gunner, M. R.; Murakami, T.; Rustenburg, A. S.; Işık, M.; Chodera, J. D.
    Journal of Computer-Aided Molecular Design (2020)

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  • pK(a)measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments
    Journal Article

    Işık, M.; Levorse, D.; Rustenburg, A. S.; Ndukwe, I. E.; Wang, H.; Wang, X.; Reibarkh, M.; Martin, G. E.; Makarov, A. A.; Mobley, D. L.; more...
    Journal of Computer-Aided Molecular Design (2018)

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  • Development of targeted nanomedicines via machine learning processes
    Meeting Abstract

    Heller, D.; Shamay, Y.; Shah, J.; Isik, M.; Budhathoki-Uprety, J.; Roxbury, D.; Sridharan, R.; Chodera, J.; Lowe, S.
    Abstracts of Papers of the American Chemical Society (2018)

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  • An open library of human kinase domain constructs for automated bacterial expression
    Journal Article

    Albanese, S. K.; Parton, D. L.; Isik, M.; Rodríguez-Laureano, L.; Hanson, S. M.; Behr, J. M.; Gradia, S.; Jeans, C.; Levinson, N. M.; Seeliger, M. A.; more...
    Biochemistry (2018)

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  • Quantitative self-assembly prediction yields targeted nanomedicines
    Journal Article

    Shamay, Y.; Shah, J.; Işık, M.; Mizrachi, A.; Leibold, J.; Tschaharganeh, D. F.; Roxbury, D.; Budhathoki-Uprety, J.; Nawaly, K.; Sugarman, J. L.; more...
    Nature Materials (2018)

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