Molecules 4 Quantum mechanical method 4 Quantum theory 4 Amino acids 2 Binding energies 2 Binding energy 2 Bins 2 Biological functions 2 Bound water molecules 2 Carbohydrate-recognition domains 2 Carbohydrates 2 Chemical bonds 2 Chiral discrimination 2 Computational studies 2 Crystal structure 2 Electric quadrupoles 2 Galectin-1 2 Hydrogen bonding interactions 2 Hydrogen bonds 2 Hydrogen-bonding interactions 2 Independent components 2 Intermolecular interactions 2 Ligands 2 Methanol 2 Molecular biology 2 Molecular dynamics 2 Optical rotation 2 Optical rotatory power 2 Polarization 2 Principal axis systems 2