Ab initio Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation of CO in the Heme Distal Pocket of Myoglobin

Chemical Compounds

• Quantum Mechanics 84%
• Myoglobin 79%
• Molecular Mechanic 72%
• Heme 67%
• Electric Field 65%
• Carbon Monoxide 63%
• Molecular Dynamics 53%
• Protein 18%
• Vibrational Frequency 14%
• Solvent 13%
• Oxygen Atom 11%
• Polarization 10%
• Force 9%
• Decomposition 9%
• Environment 8%
• Carbon Atom 6%

Physics & Astronomy

• myoglobin 100%
• carbon monoxide 82%
• quantum mechanics 67%
• molecular dynamics 52%
• electric fields 42%
• proteins 34%
• simulation 27%
• human body 17%
• diatomic molecules 16%
• enzymes 15%
• oxygen atoms 15%
• frequency shift 14%
• infrared spectra 13%
• electrostatics 11%
• decomposition 11%
• iron 10%
• carbon 9%
• polarization 7%
• atoms 7%