Structural insights into the binding mode of d-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations
Keywords: SDH, sorbitol dehydrogenase; MDH, mannitol dehydrogenase; MD, molecular dynamics; QPLD, quantum polarized ligand docking; XP, extra precision; SP, standard precision; QM, quantum mechanics; MM, molecular mechanicsSorbitol dehydrogenase; d-sorbitol; l-sorb