controlled study article 48 Computer Simulation 44 priority journal 36 Humans 32 nonhuman 32 computer simulation 22 human 22 Animals 20 Models, Molecular 20 molecular dynamics 20 unclassified drug 18 Article 16 Crystallography, X-Ray 16 Computer simulation 14 Ligands 14 protein function 14 Kinetics 12 ligand binding 12 oxygen 12 heme 10 metabolism 10 protein structure 10 simulation 10 Mice 8 Models, Biological 8 Models, Theoretical 8 Molecular dynamics 8 Mycobacterium tuberculosis 8 Oxygen 8