Modelling the metal atom positions of the Photosystem II water oxidising complex: a density functional theory appraisal of the 1.9 Å resolution crystal structure
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Title
Modelling the metal atom positions of the Photosystem II water oxidising complex: a density functional theory appraisal of the 1.9 Å resolution crystal structure
Authors
Keywords
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Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 14, Issue 32, Pages 11333
Publisher
Royal Society of Chemistry (RSC)
Online
2012-06-22
DOI
10.1039/c2cp41020f
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- (2012) Ron J. Pace et al. DALTON TRANSACTIONS
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- (2012) Simon Petrie et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2011) Sandra Luber et al. BIOCHEMISTRY
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- (2011) Alexander Grundmeier et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
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- (2011) Keita Kanda et al. CHEMICAL PHYSICS LETTERS
- Toward the Assignment of the Manganese Oxidation Pattern in the Water-Oxidizing Complex of Photosystem II: A Time-Dependent DFT Study of XANES Energies
- (2011) Adrian R. Jaszewski et al. CHEMISTRY-A EUROPEAN JOURNAL
- The Effect of Backbone Constraints: The Case of Water Oxidation by the Oxygen-Evolving Complex in PSII
- (2011) Per E. M. Siegbahn CHEMPHYSCHEM
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- (2011) S. Yamanaka et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Possible mechanisms of water splitting reaction based on proton and electron release pathways revealed for CaMn4O5 cluster of PSII refined to 1.9 Å X-ray resolution
- (2011) T. Saito et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Application of computational chemistry to understanding the structure and mechanism of the Mn catalytic site in photosystem II – A review
- (2011) Phillip Gatt et al. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
- S1-state Mn4Ca complex of Photosystem II exists in equilibrium between the two most-stable isomeric substates: XRD and EXAFS evidence
- (2011) Masami Kusunoki JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
- Recent theoretical studies of water oxidation in photosystem II
- (2011) Per E.M. Siegbahn JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
- Structural and Electronic Models of the Water Oxidizing Complex in the S0State of Photosystem II: A Density Functional Study.
- (2011) Adrian R. Jaszewski et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Theoretical Evaluation of Structural Models of the S2State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions
- (2011) William Ames et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å
- (2011) Yasufumi Umena et al. NATURE
- Location of Potential Substrate Water Binding Sites in the Water Oxidizing Complex of Photosystem II
- (2010) Simon Petrie et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Hydration Preferences for Mn4Ca Cluster Models of Photosystem II: Location of Potential Substrate-Water Binding Sites
- (2010) Simon Petrie et al. CHEMISTRY-A EUROPEAN JOURNAL
- Density Functional Calculations of 55Mn, 14N and 13C Electron Paramagnetic Resonance Parameters Support an Energetically Feasible Model System for the S2 State of the Oxygen-Evolving Complex of Photosystem II
- (2010) Sandra Schinzel et al. CHEMISTRY-A EUROPEAN JOURNAL
- A combined picture from theory and experiments on water oxidation, oxygen reduction and proton pumping
- (2009) Per E. M. Siegbahn et al. DALTON TRANSACTIONS
- Cyanobacterial photosystem II at 2.9-Å resolution and the role of quinones, lipids, channels and chloride
- (2009) Albert Guskov et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules
- (2009) Eduardo M. Sproviero et al. PHOTOSYNTHESIS RESEARCH
- The effect of Mn oxidation state on metal core electron excitations in manganese dimers: a time-dependent density functional investigation
- (2009) Adrian R. Jaszewski et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Structural, Magnetic Coupling and Oxidation State Trends in Models of the CaMn4 Cluster in Photosystem II
- (2008) Simon Petrie et al. CHEMISTRY-A EUROPEAN JOURNAL
- Theoretical Studies of O−O Bond Formation in Photosystem II
- (2008) Per E. M. Siegbahn INORGANIC CHEMISTRY
- Time-Dependent DFT Studies of Metal Core-Electron Excitations in Mn Complexes
- (2008) Adrian R. Jaszewski et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II
- (2008) Eduardo M. Sproviero et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A Model of the Oxygen-Evolving Center of Photosystem II Predicted by Structural Refinement Based on EXAFS Simulations
- (2008) Eduardo M. Sproviero et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Computational insights into the O2-evolving complex of photosystem II
- (2008) Eduardo M. Sproviero et al. PHOTOSYNTHESIS RESEARCH
- Corrigendum to “Mono-manganese mechanism of the photosystem II water splitting reaction by a unique Mn4Ca cluster” [Biochim. Biophys. Acta Bioenergetics 1767 (2007) 484–492]
- (2007) Masami Kusunoki BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
- Mechanism and energy diagram for O-O bond formation in the oxygen-evolving complex in photosystem II
- (2007) P. E.M Siegbahn PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES
- On the structure of the manganese complex of photosystem II: extended-range EXAFS data and specific atomic-resolution models for four S-states
- (2007) H. Dau et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES
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