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&# 8220 Biochemistry Biological Sciences not elsewhere classified Biophysics Cancer Cell Biology Chemical Sciences not elsewhere classified Computational Biology Evolutionary Biology Genetics Molecular Biology also demonstrated atomistic simulations bound forms demonstrated carbohydrate recognition domain central mannose residues conformational changes conformational selection conformational selection followed conserved functional roles explain biomolecular recognition favorable lectin conformation fundamental question hydrophobic potentials induced fit induced fluctuations initially driven key residues ligand binding mmpbsa approach