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Poses of known inhibitors in the active site of human LDH-A as predicted by molecular docking. (A) The docking pose of oxamate in Model 1 containing NADH, ΔGcalc = –4.8 kcal/mol. (B) The docking pose of 88N in Model 2, ΔGcalc = –9.6 kcal/mol. Orange denotes the coordinates of compounds in the crystal structures 1i10 and 4ajp
