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

Sun, ZX; He, QL; Li, X; Zhu, ZD

Sun, ZX (corresponding author), Forschungszentrum Julich, Computat Biomed IAS 5 INM 9, D-52425 Julich, Germany.; Sun, ZX (corresponding author), East China Normal Univ, Sch Chem & Mol Engn, State Key Lab Precis Spect, Shanghai 200062, Peoples R China.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020; 34 (5): 589

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