Ligands Protein Binding Binding Sites Carbohydrates Molecular Dynamics Simulation Molecular dynamics Proteins Water article chemistry molecular dynamics Protein Structure, Tertiary Solvents X ray crystallography chemical structure lectin priority journal protein binding water Binding energy Binding sites Carbohydrate Conformation Carbohydrate-recognition domains Crystallography, X-Ray Dynamics Galectins Glucose Lectins Ligand binding Models, Molecular