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On the Possibility of Uphill Intramolecular Electron Transfer in Multicopper Oxidases: Electrochemical and Quantum Chemical Study of Bilirubin Oxidase.
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- Electroanalysis, 2012, v. 24, n. 7, p. 1524, doi. 10.1002/elan.201200188
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- Article
Potent Cyclic Tetrapeptide for Lead Detoxification.
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- Angewandte Chemie, 2021, v. 133, n. 22, p. 12489, doi. 10.1002/ange.202103217
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- Article
Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
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- Angewandte Chemie, 2021, v. 133, n. 18, p. 10260, doi. 10.1002/ange.202016805
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- Article
Frontispiz: Closed Shell Iron(IV) Oxo Complex with an Fe–O Triple Bond: Computational Design, Synthesis, and Reactivity.
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- Angewandte Chemie, 2020, v. 132, n. 51, p. 1, doi. 10.1002/ange.202085162
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- Article
Closed Shell Iron(IV) Oxo Complex with an Fe–O Triple Bond: Computational Design, Synthesis, and Reactivity.
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- Angewandte Chemie, 2020, v. 132, n. 51, p. 23337, doi. 10.1002/ange.202009347
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- Article
Spectroscopic and Computational Evidence of Intramolecular Au<sup>I</sup>⋅⋅⋅H<sup>+</sup>−N Hydrogen Bonding.
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- Angewandte Chemie, 2019, v. 131, n. 7, p. 2033, doi. 10.1002/ange.201811982
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- Article
Spectroscopic and Computational Evidence of Intramolecular Au<sup>I</sup>⋅⋅⋅H<sup>+</sup>−N Hydrogen Bonding.
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- Angewandte Chemie International Edition, 2019, v. 58, n. 7, p. 2011, doi. 10.1002/anie.201811982
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- Article
Front Cover: Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification (ChemMedChem 15/2022).
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- ChemMedChem, 2022, v. 17, n. 15, p. 1, doi. 10.1002/cmdc.202200403
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- Article
Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification.
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- ChemMedChem, 2022, v. 17, n. 15, p. 1, doi. 10.1002/cmdc.202200152
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- Article
Reduction Potentials and Acidity Constants of Mn Superoxide Dismutase Calculated by QM/MM Free-Energy Methods.
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- ChemPhysChem, 2011, v. 12, n. 17, p. 3337, doi. 10.1002/cphc.201100339
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- Article
Micro-Hydration of the MgNO<sub>3</sub><sup>+</sup> Cation in the Gas Phase.
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- ChemPhysChem, 2007, v. 8, n. 11, p. 1629, doi. 10.1002/cphc.200700196
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- Article
The stability and reactivity of activated acryloylcarbamates as reagents for the synthesis of N-1 substituted thymine and uracil - an NMR and DFT study.
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- Journal of Physical Organic Chemistry, 2011, v. 24, n. 5, p. 423, doi. 10.1002/poc.1775
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- Article
Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
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- Proteins, 2008, v. 71, n. 3, p. 1275, doi. 10.1002/prot.21821
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- Article
Acidity constants and protonation sites of cyclic dinucleotides determined by capillary electrophoresis, quantum chemical calculations, and NMR spectroscopy.
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- Electrophoresis, 2024, v. 45, n. 7/8, p. 687, doi. 10.1002/elps.202300232
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- Article
Cover Feature: Comprehensive Theoretical View of the [Cu<sub>2</sub>O<sub>2</sub>] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria (ChemPhysChem 14/2022).
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- ChemPhysChem, 2022, v. 23, n. 14, p. 1, doi. 10.1002/cphc.202200076
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- Article
Comprehensive Theoretical View of the [Cu<sub>2</sub>O<sub>2</sub>] Side‐on‐Peroxo‐/Bis‐μ‐Oxo Equilibria.
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- ChemPhysChem, 2022, v. 23, n. 14, p. 1, doi. 10.1002/cphc.202200076
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- Article
Proton Affinities of Organocatalysts Derived from Pyridine N-oxide.
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- Croatica Chemica Acta, 2014, v. 87, n. 4, p. 349, doi. 10.5562/cca2447
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- Article
1,2,4-Triazole-based N-heterocyclic carbene complexes of gold(I): synthesis, characterization and.
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- Applied Organometallic Chemistry, 2016, v. 30, n. 5, p. 318, doi. 10.1002/aoc.3434
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- Article
Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities.
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- FEBS Journal, 2016, v. 283, n. 13, p. 2528, doi. 10.1111/febs.13761
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Mapping of the active site of glutamate carboxypeptidase II by site-directed mutagenesis.
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- FEBS Journal, 2007, v. 274, n. 18, p. 4731, doi. 10.1111/j.1742-4658.2007.06021.x
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- Article
Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects.
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- Chemistry - A European Journal, 2019, v. 25, n. 48, p. 11375, doi. 10.1002/chem.201902651
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- Article
Cover Feature: A New Insight into the Stereoelectronic Control of the Pd<sup>0</sup>‐Catalyzed Allylic Substitution: Application for the Synthesis of Multisubstituted Pyran‐2‐ones via an Unusual 1,3‐Transposition (Chem. Eur. J. 34/2019)
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- Chemistry - A European Journal, 2019, v. 25, n. 34, p. 7955, doi. 10.1002/chem.201901743
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- Article
A New Insight into the Stereoelectronic Control of the Pd<sup>0</sup>‐Catalyzed Allylic Substitution: Application for the Synthesis of Multisubstituted Pyran‐2‐ones via an Unusual 1,3‐Transposition.
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- Chemistry - A European Journal, 2019, v. 25, n. 34, p. 8053, doi. 10.1002/chem.201900323
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- Article
Frontispiece: Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH.
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- Chemistry - A European Journal, 2016, v. 22, n. 30, p. n/a, doi. 10.1002/chem.201683062
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- Article
Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH.
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- Chemistry - A European Journal, 2016, v. 22, n. 30, p. 10426, doi. 10.1002/chem.201601175
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- Article
A new insight into the zinc-dependent DNA-cleavage by the colicin E7 nuclease: a crystallographic and computational study.
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- Metallomics, 2014, v. 6, n. 11, p. 2090, doi. 10.1039/c4mt00195h
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- Article
Potent Cyclic Tetrapeptide for Lead Detoxification.
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- Angewandte Chemie International Edition, 2021, v. 60, n. 22, p. 12381, doi. 10.1002/anie.202103217
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- Publication type:
- Article
Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 18, p. 10172, doi. 10.1002/anie.202016805
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- Publication type:
- Article
Frontispiece: Closed Shell Iron(IV) Oxo Complex with an Fe–O Triple Bond: Computational Design, Synthesis, and Reactivity.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 51, p. 1, doi. 10.1002/anie.202085162
- By:
- Publication type:
- Article
Closed Shell Iron(IV) Oxo Complex with an Fe–O Triple Bond: Computational Design, Synthesis, and Reactivity.
- Published in:
- Angewandte Chemie International Edition, 2020, v. 59, n. 51, p. 23137, doi. 10.1002/anie.202009347
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- Publication type:
- Article
Molecular Design of Specific Metal-Binding Peptide Sequences from Protein Fragments: Theory and Experiment.
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- Chemistry - A European Journal, 2008, v. 14, n. 26, p. 7836, doi. 10.1002/chem.200800178
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- Article
Azahelicene Superbases as MAILD Matrices for Acidic Analytes.
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- ChemPlusChem, 2013, v. 78, n. 9, p. 937, doi. 10.1002/cplu.201300258
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- Article
Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide.
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- Journal of Computational Chemistry, 2008, v. 29, n. 6, p. 861, doi. 10.1002/jcc.20841
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The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations.
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- Journal of Computational Chemistry, 2006, v. 27, n. 12, p. 1398, doi. 10.1002/jcc.20450
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- Article
Can Copper(I) and Silver(I) be Hydrogen Bond Acceptors?
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- Chemistry - A European Journal, 2023, v. 29, n. 26, p. 1, doi. 10.1002/chem.202203769
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- Article
Cationic Gold(II) Complexes: Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2022, v. 28, n. 60, p. 1, doi. 10.1002/chem.202201794
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- Article
Quantum Bio‐Inorganic Chemistry (QBIC) Society Special Collection.
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- Chemistry - A European Journal, 2022, v. 28, n. 49, p. 1, doi. 10.1002/chem.202202185
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- Article
Purines Bearing Phenanthroline or Bipyridine Ligands and Their RuII Complexes in Position 8 as Model Compounds for Electrochemical DNA Labelin – Synthesis, Crystal Structure, Electrochemistry, Quantum Chemical Calculations, Cytostatic and Antiviral Activity
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- European Journal of Inorganic Chemistry, 2007, v. 2007, n. 12, p. 1752
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- Article
Biochemical characterization of human glutamate carboxypeptidase III.
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- Journal of Neurochemistry, 2007, v. 101, n. 3, p. 682, doi. 10.1111/j.1471-4159.2006.04341.x
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- Article
Inside Back Cover: Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation (Chem. Eur. J. 34/2015).
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- Chemistry - A European Journal, 2015, v. 21, n. 34, p. 12203, doi. 10.1002/chem.201590155
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- Article
Cross-Aldol Reaction of Isatin with Acetone Catalyzed by Leucinol: A Mechanistic Investigation.
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- Chemistry - A European Journal, 2015, v. 21, n. 34, p. 12026, doi. 10.1002/chem.201500536
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- Article
Divergent Pathways and Competitive Mechanisms of Metathesis Reactions between 3-Arylprop-2-ynyl Esters and Aldehydes: An Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2014, v. 20, n. 33, p. 10360, doi. 10.1002/chem.201402551
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- Article
Diethyl Fluoronitromethylphosphonate: Synthesis and Application in Nucleophilic Fluoroalkyl Additions.
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- Chemistry - A European Journal, 2014, v. 20, n. 5, p. 1453, doi. 10.1002/chem.201303817
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- Article
Theoretical Aspects of Hydrolysis of Peptide Bonds by Zinc Metalloenzymes.
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- Chemistry - A European Journal, 2013, v. 19, n. 49, p. 16634, doi. 10.1002/chem.201302663
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- Article
Mechanistic Dichotomy in the Asymmetric Allylation of Aldehydes with Allyltrichlorosilanes Catalyzed by Chiral Pyridine N-Oxides.
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- Chemistry - A European Journal, 2013, v. 19, n. 28, p. 9167, doi. 10.1002/chem.201203817
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- Article
Acceptor-Substituted Ferrocenium Salts as Strong, Single-Electron Oxidants: Synthesis, Electrochemistry, Theoretical Investigations, and Initial Synthetic Application.
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- Chemistry - A European Journal, 2012, v. 18, n. 39, p. 12267, doi. 10.1002/chem.201201499
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- Article
β-Cyclodextrin Duplexes That Are Connected through Two Disulfide Bonds: Potent Hosts for the Complexation of Organic Molecules.
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- Chemistry - A European Journal, 2012, v. 18, n. 39, p. 12292, doi. 10.1002/chem.201201239
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- Article
Mono- and binuclear non-heme iron chemistry from a theoretical perspective.
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- Journal of Biological Inorganic Chemistry (JBIC), 2016, v. 21, n. 5/6, p. 619, doi. 10.1007/s00775-016-1357-8
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- Article
Dinucleoside polyphosphates act as 5′-RNA caps in bacteria.
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- Nature Communications, 2020, v. 11, n. 1, p. 1, doi. 10.1038/s41467-020-14896-8
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Using DFT methods for the prediction of the structure and energetics of metal-binding sites in metalloproteins.
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- International Journal of Quantum Chemistry, 2003, v. 91, n. 3, p. 504, doi. 10.1002/qua.10442
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- Article