a prediction and protonation state generation for drug-like molecules

John C. Shelley, Anuradha Cholleti, Leah L. Frye, Jeremy R. Greenwood, Mathew R. Timlin, Makoto Uchimaya. a prediction and protonation state generation for drug-like molecules. Journal of Computer-Aided Molecular Design, 21(12):681-691, 2007. [doi]

Authors

John C. Shelley

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Anuradha Cholleti

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Leah L. Frye

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Jeremy R. Greenwood

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Mathew R. Timlin

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Makoto Uchimaya

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