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Miha Purg - Publications

Affiliations: 
2013- Cell and Molecular Biology Uppsala University, Uppsala, Uppsala län, Sweden 
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16 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 van der Ent F, Lund BA, Svalberg L, Purg M, Chukwu G, Widersten M, Isaksen GV, Brandsdal BO, Åqvist J. Structure and Mechanism of a Cold-Adapted Bacterial Lipase. Biochemistry. 61: 933-942. PMID 35503728 DOI: 10.1021/acs.biochem.2c00087  0.334
2022 Koenekoop L, van der Ent F, Purg M, Åqvist J. The Activation Parameters of a Cold-Adapted Short Chain Dehydrogenase Are Insensitive to Enzyme Oligomerization. Biochemistry. 61: 514-522. PMID 35229609 DOI: 10.1021/acs.biochem.2c00024  0.389
2020 Machado TFG, Purg M, McMahon SA, Read BJ, Oehler V, Åqvist J, Gloster TM, da Silva RG. Dissecting the Mechanism of ()-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry. Acs Catalysis. 10: 15019-15032. PMID 33391858 DOI: 10.1021/acscatal.0c04736  0.349
2020 Åqvist J, Sočan J, Purg M. Hidden Conformational States and Strange Temperature Optima in Enzyme Catalysis. Biochemistry. PMID 32975950 DOI: 10.1021/acs.biochem.0c00705  0.32
2020 Prah A, Purg M, Stare J, Vianello R, Mavri J. How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step. The Journal of Physical Chemistry. B. PMID 32845149 DOI: 10.1021/acs.jpcb.0c06502  0.367
2020 Sočan J, Purg M, Åqvist J. Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme. Nature Communications. 11: 2644. PMID 32457471 DOI: 10.1038/S41467-020-16341-2  0.343
2018 Hong NS, Petrović D, Lee R, Gryn'ova G, Purg M, Saunders J, Bauer P, Carr PD, Lin CY, Mabbitt PD, Zhang W, Altamore T, Easton C, Coote ML, Kamerlin SCL, et al. The evolution of multiple active site configurations in a designed enzyme. Nature Communications. 9: 3900. PMID 30254369 DOI: 10.1038/S41467-018-06305-Y  0.741
2018 Purg M, Kamerlin SCL. Empirical Valence Bond Simulations of Organophosphate Hydrolysis: Theory and Practice. Methods in Enzymology. 607: 3-51. PMID 30149862 DOI: 10.1016/Bs.Mie.2018.06.007  0.348
2018 Bauer P, Barrozo A, Amrein BA, Purg M, Esguerra M, Wilson PB, Major DT, Aqvist J, Kamerlin SCL. Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations Softwarex. DOI: 10.1016/J.Softx.2017.12.001  0.586
2017 Purg M, Elias M, Kamerlin SCL. Similar Active Sites and Mechanisms Do Not Lead to Cross-Promiscuity in Organophosphate Hydrolysis: Implications for Biotherapeutic Engineering. Journal of the American Chemical Society. 139: 17533-17546. PMID 29113434 DOI: 10.1021/Jacs.7B09384  0.449
2017 Amrein BA, Steffen-Munsberg F, Szeler I, Purg M, Kulkarni Y, Kamerlin SC. : Computer-Aided Directed Evolution of Enzymes. Iucrj. 4: 50-64. PMID 28250941 DOI: 10.1107/S2052252516018017  0.591
2016 Poberžnik M, Purg M, Repič M, Mavri J, Vianello R. Empirical Valence Bond Simulations of the Hydride-Transfer Step in the Monoamine Oxidase A Catalyzed Metabolism of Noradrenaline. The Journal of Physical Chemistry. B. 120: 11419-11427. PMID 27734680 DOI: 10.1021/Acs.Jpcb.6B09011  0.423
2016 Purg M, Pabis A, Baier F, Tokuriki N, Jackson C, Kamerlin SC. Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 374. PMID 27698033 DOI: 10.1098/Rsta.2016.0150  0.756
2016 Oanca G, Purg M, Mavri J, Shih JC, Stare J. Insights into enzyme point mutation effect by molecular simulation: phenylethylamine oxidation catalyzed by monoamine oxidase A. Physical Chemistry Chemical Physics : Pccp. PMID 27121693 DOI: 10.1039/c6cp00098c  0.305
2014 Repi? M, Vianello R, Purg M, Duarte F, Bauer P, Kamerlin SC, Mavri J. Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine. Proteins. 82: 3347-55. PMID 25220264 DOI: 10.1002/Prot.24690  0.731
2014 Duarte F, Bauer P, Barrozo A, Amrein BA, Purg M, Aqvist J, Kamerlin SC. Force field independent metal parameters using a nonbonded dummy model. The Journal of Physical Chemistry. B. 118: 4351-62. PMID 24670003 DOI: 10.1021/Jp501737X  0.621
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