Analysis tools 2 Associated water 2 Binding energy 2 Binding free energy 2 Binding proteins 2 Binding sites 2 Biochemistry 2 Bulk density 2 Carbohydrate binding 2 Carbohydrate recognition 2 Carbohydrate-recognition domains 2 Carbohydrates 2 Complexation 2 Contact surface 2 Cyclophilin 2 Dynamics 2 Explicit water 2 Functional groups 2 Galectin-1 2 Hydroxyl groups 2 Ligand binding 2 Ligand structure 2 Ligand-binding sites 2 Ligands 2 MD simulation 2 Microscopic levels 2 Molecular dynamics 2 Molecular dynamics simulations 2 Molecules 2 Multi-modular 2