Acid catalysis 2 Amino acids 2 Basic mechanism Catalysis 2 Computer Simulation 2 Heme 2 Hemoglobin 2 Hydrogen Bonding 2 Hydrogen bonds 2 Hydroxide anions 2 Iron compounds 2 Molecular Dynamics Simulation 2 Molecular mechanism 2 Mutation 2 Myoglobin 2 Oxidation 2 Oxidation rates 2 Oxidation-Reduction 2 Oxygen 2 Porphyrins 2 Protonation 2 Quantum Theory 2 Rate constants 2 Simulation methodology 2 State of the art 2 Thermodynamically stable 2 Thermodynamics 2 catalysis 2 chemistry 2 computer simulation 2