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Azurin as a Protein Scaffold for a Low-coordinate Nonheme Iron Site with a Small-molecule Binding PocketToward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient ConditionsPhotosynthesis. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation.Spin State as a Marker for the Structural Evolution of Nature's Water-Splitting Catalyst.Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications.A realistic in silico model for structure/function studies of molybdenum-copper CO dehydrogenase.Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II.Experimental and computational investigation of thiolate alkylation in Ni(II) and Zn(II) complexes: role of the metal on the sulfur nucleophilicity.Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study.Exploring the binding of inhibitors derived from tetrabromobenzimidazole to the CK2 protein using a QM/MM-PB/SA approach.Differences in the Active Site of Water Oxidation among Photosynthetic Organisms.A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen.Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.Metal oxidation states in biological water splitting.Time-Resolved Electron Paramagnetic Resonance and Theoretical Investigations of Metal-Free Room-Temperature Triplet Emitters.Multilevel Approaches within the Local Pair Natural Orbital Framework.Free energy calculations using dual-level Born-Oppenheimer molecular dynamics.The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem II.A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding.Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting DiodesA First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal ComplexesThe iron–sulfur core in Rieske proteins is not symmetricA combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(iii) complex. A complete analysis of the EPR spectrum beyond the strong coupling limitVisible-Light-Driven Generation of High-Valent Oxo-Bridged Dinuclear and Tetranuclear Manganese Terpyridine Entities Linked to Photoactive Ruthenium Units of Relevance to Photosystem IIElectrochemical formation of bi- versus tetranuclear μ-oxo terpyridine manganese complexes in CH3CN. Influence of the terpyridine substituentsRedox-responsive porphyrin-based molecular tweezers
P50
Q27675182-B80E275D-89C8-4840-A7E8-EFA873A7C03DQ28606421-0E874843-6BF0-454E-B0AD-23BDE580236EQ35225241-84F9CD9F-2FC9-42F2-B920-9103435924A6Q38678350-2FAD9FA7-D1B6-4F64-988F-74A41C637301Q38815732-0FD2325C-CE18-4CD6-9DF7-214B59465288Q39733515-36ED3EA8-250C-46A7-9844-5D7B369642F1Q40302655-DEBCE1E9-DF9D-4EBA-9F92-85FB8B04AE0CQ44304676-283B0039-B80B-481E-A13C-CEBC53C8345CQ44388430-3D637DF3-65C5-441F-A98D-88BA6F5326D8Q46056957-9C24D4C1-83E5-4C3D-8AA5-01C1587764BAQ46300572-9EBACD79-184E-4204-AB4A-9BA8CFDAA893Q46360788-32110CF1-67C5-4842-9471-2FF75A7AF91CQ46714758-0C7102A9-E76F-43A1-9FCF-3193E982DAC2Q47196956-73158B4F-1B65-4C08-A9B0-EC9066D3E6B2Q48055722-94FC351F-8857-4E76-AFE8-8B26FB65723BQ48060039-9B1F7CCA-70C7-4A5C-BB41-4CEA22F63B67Q50070498-FB243B8A-10D2-423E-AAB7-24DC0A6DB750Q54173120-352477F5-662F-445D-B460-A21B9EE0C073Q55235157-A2B72F57-97C2-4F46-A3E6-27D4B52D7FB5Q58009420-49240AFD-DFCB-43B2-A42C-085C55F5B303Q58009550-75BB0435-1FA2-4B3B-92B8-02AD92DA01C5Q58009612-6823537E-C71B-4CE8-9C51-B696E3A4B3AFQ58009623-440B074B-CF22-45CF-99FE-01863993A80AQ64034303-A3D3F754-DA93-4165-B222-84B0623234A4Q64034304-E6EED3CA-8CD0-4120-9B88-D6AAAC65F24BQ84107802-8695DA46-A589-4BDB-8B3A-70D9C2CE7DFB
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Marius Retegan
@ast
Marius Retegan
@en
Marius Retegan
@es
Marius Retegan
@nl
Marius Retegan
@sl
type
label
Marius Retegan
@ast
Marius Retegan
@en
Marius Retegan
@es
Marius Retegan
@nl
Marius Retegan
@sl
prefLabel
Marius Retegan
@ast
Marius Retegan
@en
Marius Retegan
@es
Marius Retegan
@nl
Marius Retegan
@sl
P1053
I-4184-2016
P106
P1153
26635843100
P21
P31
P3829
P496
0000-0002-1525-1094