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Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations

Huai, Z; Yang, HY; Sun, ZX

Sun, ZX (corresponding author), East China Normal Univ, State Key Lab Precis Spect, Sch Phys & Elect Sci, Shanghai 200062, Peoples R China.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, ; ():

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