Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge - researchr publication authors

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Juyong Lee, Florentina Tofoleanu, Frank C. Pickard IV, Gerhard König, Jing Huang, Ana Damjanovic, Minkyung Baek, Chaok Seok, Bernard R. Brooks. Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design, 31(1):71-85, 2017. [doi]

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