Theoretical Study on the Redox Cycle of Bovine Glutathione Peroxidase GPx1: pKa Calculations, Docking, and Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Theoretical Study on the Redox Cycle of Bovine Glutathione Peroxidase GPx1: pKa Calculations, Docking, and Molecular Dynamics Simulations

Published:2010-04-22 Issue:5 Volume:6 Page:1670-1681
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ali Syed Tahir¹,Jahangir Sajid¹,Karamat Sajjad¹,Fabian Walter M. F.¹,Nawara Krzysztof¹,Kóňa Juraj¹

Affiliation:

1. Institute of Chemistry, Karl Franzens University, Graz, Heinrichstrasse 28, A-8010 Graz, Austria, Department of Chemistry, Federal Urdu University of Arts, Science and Technology, Gulshan-e-Iqbal Science Campus, Karachi, Sindh, Pakistan, and Institute of Chemistry, Center for Glycomics, Slovak Academy of Sciences, Dúbravska cesta 9, 845 38 Bratislava, Slovak Republic

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct9003355

Reference93 articles.

1. Glutathione peroxidase: A selenoenzyme

2. Selenocysteine in proteins—properties and biotechnological use

3. The Refined Structure of the Selenoenzyme Glutathione Peroxidase at 0.2-nm Resolution

4. 77Se NMR characterization of 77Se-labeled ovine erythrocyte glutathione peroxidase.

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