2012
Theoretical EXAFS studies of a model of the oxygen‐evolving complex of photosystem II obtained with the quantum cluster approach
Li X, Sproviero E, Ryde U, Batista V, Chen G. Theoretical EXAFS studies of a model of the oxygen‐evolving complex of photosystem II obtained with the quantum cluster approach. International Journal Of Quantum Chemistry 2012, 113: 474-478. DOI: 10.1002/qua.24143.Peer-Reviewed Original ResearchOxygen-evolving complexRefined cluster modelCluster modelEXAFS dataX-ray absorption fine structure dataExtended X-ray absorption fine structure (EXAFS) dataFine structure dataLow energyOnly natural systemCa clusterPhotosystem IIEnergetic barrierCluster approachStructure dataGeometry optimizationSiegbahnCrystal structure
2011
S1-State Model of the O2-Evolving Complex of Photosystem II
Luber S, Rivalta I, Umena Y, Kawakami K, Shen JR, Kamiya N, Brudvig GW, Batista VS. S1-State Model of the O2-Evolving Complex of Photosystem II. Biochemistry 2011, 50: 6308-6311. PMID: 21678908, PMCID: PMC3139771, DOI: 10.1021/bi200681q.Peer-Reviewed Original ResearchConceptsHigh-resolution spectroscopic dataQuantum mechanics/molecular mechanics modelsExtended X-ray absorption fine structure (EXAFS) dataX-ray absorption fine structure dataFine structure dataPhotosystem IIX-ray diffraction modelOxygen-evolving complexDiffraction modelSingle crystalsMn clusterXRD modelMolecular mechanics modelIntermetallic distanceManganese centersSpectroscopic dataOxidation stateWater splittingCarboxylate moietyCatalytic cycleStructure dataLikely correspondsComplexesSplittingCrystals