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Electrostatics as a Guiding Principle in Understanding and Designing Enzymes.
Ruiz-Pernía JJ, Świderek K, Bertran J, Moliner V, Tuñón I. Ruiz-Pernía JJ, et al. Among authors: swiderek k. J Chem Theory Comput. 2024 Mar 12;20(5):1783-1795. doi: 10.1021/acs.jctc.3c01395. Epub 2024 Feb 27. J Chem Theory Comput. 2024. PMID: 38410913 Free PMC article. Review.
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.
Medrano FJ, de la Hoz-Rodríguez S, Martí S, Arafet K, Schirmeister T, Hammerschmidt SJ, Müller C, González-Martínez Á, Santillana E, Ziebuhr J, Romero A, Zimmer C, Weldert A, Zimmermann R, Lodola A, Świderek K, Moliner V, González FV. Medrano FJ, et al. Among authors: swiderek k. Commun Chem. 2024 Jan 18;7(1):15. doi: 10.1038/s42004-024-01104-7. Commun Chem. 2024. PMID: 38238420 Free PMC article.
Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids.
Gomez de Santos P, González-Benjumea A, Fernandez-Garcia A, Aranda C, Wu Y, But A, Molina-Espeja P, Maté DM, Gonzalez-Perez D, Zhang W, Kiebist J, Scheibner K, Hofrichter M, Świderek K, Moliner V, Sanz-Aparicio J, Hollmann F, Gutiérrez A, Alcalde M. Gomez de Santos P, et al. Among authors: swiderek k. Angew Chem Int Ed Engl. 2023 Feb 20;62(9):e202217372. doi: 10.1002/anie.202217372. Epub 2023 Jan 24. Angew Chem Int Ed Engl. 2023. PMID: 36583658
115 results