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Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series

Stefan Güssregen, Hans Matter, Gerhard Hessler, Evanthia Lionta, Jochen Heil, Stefan M. Kast. Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series. Journal of Chemical Information and Computer Sciences, 57(7):1652-1666, July 2017. [doi]

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Stefan Güssregen

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Hans Matter

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Gerhard Hessler

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Evanthia Lionta

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Jochen Heil

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Stefan M. Kast

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