Bortoli M - Search Results

1

Diphenyl Diselenide and SARS-CoV-2: in silico Exploration of the Mechanisms of Inhibition of Main Protease (M^pro) and Papain-like Protease (PL^pro).

Omage FB, Madabeni A, Tucci AR, Nogara PA, Bortoli M, Rosa ADS, Neuza Dos Santos Ferreira V, Teixeira Rocha JB, Miranda MD, Orian L. Omage FB, et al. Among authors: bortoli m. J Chem Inf Model. 2023 Apr 10;63(7):2226-2239. doi: 10.1021/acs.jcim.3c00168. Epub 2023 Mar 23. J Chem Inf Model. 2023. PMID: 36952618 Free PMC article.

2

Indole-5,6-quinones display hallmark properties of eumelanin.

Wang X, Kinziabulatova L, Bortoli M, Manickoth A, Barilla MA, Huang H, Blancafort L, Kohler B, Lumb JP. Wang X, et al. Among authors: bortoli m. Nat Chem. 2023 Jun;15(6):787-793. doi: 10.1038/s41557-023-01175-4. Epub 2023 Apr 10. Nat Chem. 2023. PMID: 37037912

3

Addition-Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides.

Bortoli M, Wolters LP, Orian L, Bickelhaupt FM. Bortoli M, et al. J Chem Theory Comput. 2016 Jun 14;12(6):2752-61. doi: 10.1021/acs.jctc.6b00253. Epub 2016 May 4. J Chem Theory Comput. 2016. PMID: 27096625

4

Mechanistic Insight into the Oxidation of Organic Phenylselenides by H₂ O₂.

Ribaudo G, Bellanda M, Menegazzo I, Wolters LP, Bortoli M, Ferrer-Sueta G, Zagotto G, Orian L. Ribaudo G, et al. Among authors: bortoli m. Chemistry. 2017 Feb 16;23(10):2405-2422. doi: 10.1002/chem.201604915. Epub 2017 Jan 20. Chemistry. 2017. PMID: 27935210

5

Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site.

Bortoli M, Torsello M, Bickelhaupt FM, Orian L. Bortoli M, et al. Chemphyschem. 2017 Nov 3;18(21):2990-2998. doi: 10.1002/cphc.201700743. Epub 2017 Sep 27. Chemphyschem. 2017. PMID: 28837255

6

Oxidation of organic diselenides and ditellurides by H₂O₂ for bioinspired catalyst design.

Bortoli M , Zaccaria F , Dalla Tiezza M , Bruschi M , Fonseca Guerra C , Bickelhaupt FM , Orian L . Bortoli M , et al. Phys Chem Chem Phys. 2018 Aug 15;20(32):20874-20885. doi: 10.1039/c8cp02748j. Phys Chem Chem Phys. 2018. PMID: 30066704

7

Nature and strength of chalcogen-π bonds.

Bortoli M , Ahmad SM , Hamlin TA , Bickelhaupt FM , Orian L . Bortoli M , et al. Phys Chem Chem Phys. 2018 Nov 7;20(43):27592-27599. doi: 10.1039/c8cp05922e. Phys Chem Chem Phys. 2018. PMID: 30371693

8

Psychiatric Disorders and Oxidative Injury: Antioxidant Effects of Zolpidem Therapy disclosed In Silico.

Bortoli M, Dalla Tiezza M, Muraro C, Pavan C, Ribaudo G, Rodighiero A, Tubaro C, Zagotto G, Orian L. Bortoli M, et al. Comput Struct Biotechnol J. 2019 Feb 7;17:311-318. doi: 10.1016/j.csbj.2019.02.004. eCollection 2019. Comput Struct Biotechnol J. 2019. PMID: 30867894 Free PMC article.

9

The ¹²⁵Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface.

Bortoli M, Dalla Tiezza M, Muraro C, Saielli G, Orian L. Bortoli M, et al. Molecules. 2019 Mar 30;24(7):1250. doi: 10.3390/molecules24071250. Molecules. 2019. PMID: 30935011 Free PMC article.

10

Multiscale modeling of reaction rates: application to archetypal S_N2 nucleophilic substitutions.

Campeggio J , Bortoli M , Orian L , Zerbetto M , Polimeno A . Campeggio J , et al. Among authors: bortoli m. Phys Chem Chem Phys. 2020 Feb 12;22(6):3455-3465. doi: 10.1039/c9cp03841h. Phys Chem Chem Phys. 2020. PMID: 31984980

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