SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations

Zhaoxi Sun, Qiao-Le He, Xiao Li, Zhengdan Zhu. SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations. Journal of Computer-Aided Molecular Design, 34(5):589-600, 2020. [doi]

Authors

Zhaoxi Sun

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Qiao-Le He

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Xiao Li

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Zhengdan Zhu

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