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Year | Number of Results |
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Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes.
Int J Mol Sci. 2023 Mar 28;24(7):6368. doi: 10.3390/ijms24076368.
Int J Mol Sci. 2023.
PMID: 37047341
Free PMC article.
Review.
How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H2-evolving Mo oxides/sulphides as case studies.
Rovaletti A, Ryde U, Moro G, Cosentino U, Greco C.
Rovaletti A, et al.
Phys Chem Chem Phys. 2022 Dec 14;24(48):29471-29479. doi: 10.1039/d2cp03996f.
Phys Chem Chem Phys. 2022.
PMID: 36437742
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The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase.
Rovaletti A, Bruschi M, Moro G, Cosentino U, Greco C.
Rovaletti A, et al.
Front Chem. 2019 Jan 9;6:630. doi: 10.3389/fchem.2018.00630. eCollection 2018.
Front Chem. 2019.
PMID: 30687693
Free PMC article.
Review.
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Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO-Dehydrogenase? Answers from Theory.
Rovaletti A, Moro G, Cosentino U, Ryde U, Greco C.
Rovaletti A, et al.
Chemphyschem. 2022 Apr 20;23(8):e202200053. doi: 10.1002/cphc.202200053. Epub 2022 Mar 10.
Chemphyschem. 2022.
PMID: 35170169
Free PMC article.
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QM/MM study of the binding of H2 to MoCu CO dehydrogenase: development and applications of improved H2 van der Waals parameters.
Rovaletti A, Greco C, Ryde U.
Rovaletti A, et al.
J Mol Model. 2021 Feb 4;27(3):68. doi: 10.1007/s00894-020-04655-3.
J Mol Model. 2021.
PMID: 33538901
Free PMC article.
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Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium.
Rovaletti A, De Gioia L, Greco C, Arrigoni F.
Rovaletti A, et al.
Dalton Trans. 2023 Jun 13;52(23):7966-7974. doi: 10.1039/d3dt00945a.
Dalton Trans. 2023.
PMID: 37222478
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CO oxidation mechanism of silver-substituted Mo/Cu CO-dehydrogenase. Analogies and differences to the native enzyme.
Anna R, Moro G, Ugo C, Ryde U, Greco C.
Anna R, et al.
Chemphyschem. 2024 Apr 17:e202400293. doi: 10.1002/cphc.202400293. Online ahead of print.
Chemphyschem. 2024.
PMID: 38631392
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