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Tunneling and Nonadiabatic Effects on a Proton-Coupled Electron Transfer Model for the Qo Site in Cytochrome bc1.
J Chem Inf Model. 2021 Apr 26;61(4):1840-1849. doi: 10.1021/acs.jcim.1c00008. Epub 2021 Apr 1.
J Chem Inf Model. 2021.
PMID: 33793213
Modeling the Hydrolysis of Iron-Sulfur Clusters.
Teixeira MH, Curtolo F, Camilo SRG, Field MJ, Zheng P, Li H, Arantes GM.
Teixeira MH, et al. Among authors: curtolo f.
J Chem Inf Model. 2020 Feb 24;60(2):653-660. doi: 10.1021/acs.jcim.9b00881. Epub 2019 Dec 16.
J Chem Inf Model. 2020.
PMID: 31790241
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Mechanisms for Flavin-Mediated Oxidation: Hydride or Hydrogen-Atom Transfer?
Curtolo F, Arantes GM.
Curtolo F, et al.
J Chem Inf Model. 2020 Dec 28;60(12):6282-6287. doi: 10.1021/acs.jcim.0c00945. Epub 2020 Nov 2.
J Chem Inf Model. 2020.
PMID: 33138360
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Highly Dynamic Polynuclear Metal Cluster Revealed in a Single Metallothionein Molecule.
Yuan G, Curtolo F, Deng Y, Wu T, Tian F, Ma Q, Liu Y, Zuo J, Arantes GM, Zheng P.
Yuan G, et al. Among authors: curtolo f.
Research (Wash D C). 2021 Jul 14;2021:9756945. doi: 10.34133/2021/9756945. eCollection 2021.
Research (Wash D C). 2021.
PMID: 34368766
Free PMC article.
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Molecular properties and tautomeric equilibria of isolated flavins.
Curtolo F, Arantes GM.
Curtolo F, et al.
J Comput Chem. 2022 Sep 5;43(23):1561-1572. doi: 10.1002/jcc.26957. Epub 2022 Jul 1.
J Comput Chem. 2022.
PMID: 35778728
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Dissecting Reaction Mechanisms and Catalytic Contributions in Flavoprotein Fumarate Reductases.
Curtolo F, Arantes GM.
Curtolo F, et al.
J Chem Inf Model. 2023 Jun 12;63(11):3510-3520. doi: 10.1021/acs.jcim.3c00292. Epub 2023 May 17.
J Chem Inf Model. 2023.
PMID: 37196341
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Carbohydrate binding modules enhance cellulose enzymatic hydrolysis by increasing access of cellulases to the substrate.
Bernardes A, Pellegrini VOA, Curtolo F, Camilo CM, Mello BL, Johns MA, Scott JL, Guimaraes FEC, Polikarpov I.
Bernardes A, et al. Among authors: curtolo f.
Carbohydr Polym. 2019 May 1;211:57-68. doi: 10.1016/j.carbpol.2019.01.108. Epub 2019 Jan 31.
Carbohydr Polym. 2019.
PMID: 30824104
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