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Journal of Biomolecular Structure and Dynamics Volume 33, 2015 - Issue 3
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Original Articles

How does the protein environment optimize the thermodynamics of thiol sulfenylation? Insights from model systems to QM/MM calculations on human 2-Cys peroxiredoxin

Julianna OláhDepartment of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, H-1111 Budapest, Gellért tér 4, HungaryCorrespondence[email protected]
,
Laura van BergenGeneral Chemistry, Vrije Universiteit Brussel, 1050Brussels, Belgium
,
Frank De ProftGeneral Chemistry, Vrije Universiteit Brussel, 1050Brussels, Belgium
&
Goedele RoosGeneral Chemistry, Vrije Universiteit Brussel, 1050Brussels, Belgium;Structural Biology Brussels, VIB and Vrije Universiteit Brussel, 1050Brussels, Belgium;Brussels Center for Redox Biology, 1050Brussels, BelgiumCorrespondence[email protected]
Pages 584-596 | Received 09 Jan 2014, Accepted 19 Mar 2014, Published online: 24 Apr 2014

Citations (9)

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Madia Trujillo, Beatriz Alvarez & Rafael Radi. (2016) One- and two-electron oxidation of thiols: mechanisms, kinetics and biological fates. Free Radical Research 50:2, pages 150-171.
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Articles from other publishers (8)

Eva-Maria Krammer, Andrew Gibbons, Goedele Roos & Martine Prévost. (2018) Molecular mechanism of substrate selectivity of the arginine-agmatine Antiporter AdiC. Scientific Reports 8:1.
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Goedele Roos, Ramón Alain Miranda-Quintana & Marco Martínez González. (2018) How Biochemical Environments Fine-Tune a Redox Process: From Theoretical Models to Practical Applications. The Journal of Physical Chemistry B 122:34, pages 8157-8165.
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Sergei A. Izmailov, Ivan S. Podkorytov & Nikolai R. Skrynnikov. (2017) Simple MD-based model for oxidative folding of peptides and proteins. Scientific Reports 7:1.
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Jenner Bonanata, Lucía Turell, Laura Antmann, Gerardo Ferrer-Sueta, Santiago Botasini, Eduardo Méndez, Beatriz Alvarez & E. Laura Coitiño. (2017) The thiol of human serum albumin: Acidity, microenvironment and mechanistic insights on its oxidation to sulfenic acid. Free Radical Biology and Medicine 108, pages 952-962.
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Ramón Alain Miranda-Quintana, Marco Martínez González & Paul W. Ayers. (2016) Electronegativity and redox reactions. Physical Chemistry Chemical Physics 18:32, pages 22235-22243.
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Anikó Lábas, Balázs Krámos, Imre Bakó & Julianna Oláh. (2015) Accurate modeling of cation–π interactions in enzymes: a case study on the CDPCho:phosphocholine cytidylyltransferase complex. Structural Chemistry 26:5-6, pages 1411-1423.
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Danny E. P. Vanpoucke, Julianna Oláh, Frank De Proft, Veronique Van Speybroeck & Goedele Roos. (2015) Convergence of Atomic Charges with the Size of the Enzymatic Environment. Journal of Chemical Information and Modeling 55:3, pages 564-571.
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Stephanie Portillo-Ledesma, Florencia Sardi, Bruno Manta, Mar?a Victoria Tourn, Andr? Clippe, Bernard Knoops, Beatriz Alvarez, E. Laura Coiti?o & Gerardo Ferrer-Sueta. (2014) Deconstructing the Catalytic Efficiency of Peroxiredoxin-5 Peroxidatic Cysteine. Biochemistry 53:38, pages 6113-6125.
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