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a Schematic interactions of 3-Cl-AHPC (2) into the canonical binding site of SHPDAX-1 model after 10 ns of MD simulation. b Schematic interactions of 3-Cl-AHPC (2) into the allosteric binding site of SHPUSP model after 10 ns of MD simulation. c Schematic interaction of 3-A-AHPC (3) into the allosteric binding site of SHPUSP model after 10 ns of MD simulation. d Schematic interactions of ST1926 (4) into the allosteric binding site of SHPUSP model after 10 ns of MD simulation
