2023
Bridging the Coordination Chemistry of Small Compounds and Metalloproteins Using Machine Learning
Kapuścińska K, Dukała Z, Doha M, Ansari E, Wang J, Brudvig G, Brooks B, Amin M. Bridging the Coordination Chemistry of Small Compounds and Metalloproteins Using Machine Learning. Journal Of Chemical Information And Modeling 2023, 64: 2586-2593. PMID: 38054243, DOI: 10.1021/acs.jcim.3c01564.Peer-Reviewed Original ResearchOxidation stateMetal ionsActive siteCambridge Crystallographic Data CentreMetal oxidation stateElectron transfer reactionsStandard reduction potentialLower oxidation statesX-ray crystallographyCoordination chemistryCryogenic electron microscopyMetal clustersTransfer reactionsReaction mechanismReduction potentialXFEL crystallographyMetalloproteinsAppropriate experimental conditionsSmall moleculesCrystallographySmall compoundsSpecific reactionElectron microscopyRemarkable efficiencyMetals
1989
Bioinorganic Chemistry of Manganese Related to Photosynthetic Oxygen Evolution
Brudvig G, Crabtree R. Bioinorganic Chemistry of Manganese Related to Photosynthetic Oxygen Evolution. Progress In Inorganic Chemistry 1989, 37: 99-142. DOI: 10.1002/9780470166383.ch2.Peer-Reviewed Original Research
1987
The tetranuclear manganese complex of Photosystem II
Brudvig G. The tetranuclear manganese complex of Photosystem II. Journal Of Bioenergetics And Biomembranes 1987, 19: 91-104. PMID: 3034873, DOI: 10.1007/bf00762719.Peer-Reviewed Original ResearchConceptsManganese complexesElectron paramagnetic resonance (EPR) spectroscopic studiesManganese ionsS2 stateTetranuclear manganese complexPhotosystem IIFour-electron oxidationIntermediate oxidation statesDisplacement of O2Coordination chemistryOxidation stateO bondSpectroscopic studiesS4 stateMagnetic propertiesComplexesIonsLike structureManganeseMn4O4ChemistryStructureBondsOxidationProperties
1986
Mechanism for photosynthetic O2 evolution.
Brudvig G, Crabtree R. Mechanism for photosynthetic O2 evolution. Proceedings Of The National Academy Of Sciences Of The United States Of America 1986, 83: 4586-4588. PMID: 3460059, PMCID: PMC323785, DOI: 10.1073/pnas.83.13.4586.Peer-Reviewed Original ResearchConceptsO2-evolving complexManganese complexesPhotosynthetic O2 evolutionS2 stateCubane-like complexCubane-like structureIntermediate oxidation statesEPR spectral dataO2 evolutionSpectral dataDisplacement of O2Coordination chemistryOxidation stateO bondS4 stateRecent EPRUV spectral dataManganese sitesStructural conversionComplexesMolecular mechanismsMn4O4ChemistryStructureEPR