Protein Structure, Tertiary 10 article 9 Protein Binding 7 Models, Molecular 6 molecular dynamics 6 Computer Simulation 5 Humans 5 Ligands 5 chemistry 5 protein tertiary structure 5 Molecular dynamics 4 Nitric Oxide 4 Proteins 4 human 4 ligand 4 metabolism 4 protein binding 4 protein conformation 4 unclassified drug 4 Amino Acid Sequence 3 Animals 3 Binding Sites 3 Hemoglobin 3 Molecular Dynamics Simulation 3 Molecular Sequence Data 3 Thermodynamics 3 computer simulation 3 conformational transition 3 heme 3 nonhuman 3