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Mehtap Isik

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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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