Theoretical modelling of biomolecular systems I. Large-scale QM/MM calculations of hydrogen-bonding networks of the oxygen evolving complex of photosystem II

Medicine & Life Sciences

• Photosystem II Protein Complex 100%
• Hydrogen Bonding 71%
• Mechanics 61%
• Oxygen 42%
• Protons 40%
• X-Ray Diffraction 35%
• Anions 21%
• Chlorides 21%
• Water 19%
• Molecular Computers 16%
• Coordination Complexes 14%
• Molecular Models 12%
• X-Rays 7%
• Amino Acids 6%
• Mutation 5%

Physics & Astronomy

• hydrogen 36%
• oxygen 35%
• protons 30%
• oxidation 25%
• chlorides 23%
• anions 22%
• x rays 21%
• water 20%
• computational mechanics 19%
• diffraction 18%
• mutations 13%
• amino acids 13%
• geometry 13%
• transition metals 9%
• fine structure 9%
• wire 8%
• optimization 7%
• high resolution 7%
• atoms 5%

Chemical Compounds

• Molecular Mechanic 58%
• Proton 30%
• Dioxygen 28%
• Oxidation Reaction 15%
• Extended X-Ray Absorption Fine Structure 14%
• Anion 13%
• Chloride 13%
• Hydrogen Chloride 13%
• X-Ray Diffraction 11%
• Amino-Acid Residue 10%
• Mutation 10%
• Transition Element 8%