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Results: 51

Marcel Staar, Lina Ahlborn, Miquel Estévez-Gay, Katharina Pallasch, Sélvia Osuna, Anett Schallmey
A Dynamic Loop in Halohydrin Dehalogenase HheG Regulates Activity and Enantioselectivity in Epoxide Ring Opening
ACS Catal., 2024, 14, 15976-15987
DOI: 10.1021/acscatal.4c04815
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Cristina Duran, Thomas Kinateder, Caroline Hiefinger, Reinhard Sterner, Sílvia Osuna
Altering Active-Site Loop Dynamics Enhances Standalone Activity of the Tryptophan Synthase Alpha Subunit
ACS Catal., 2024, 14, 16986-16995
DOI: 10.1021/acscatal.4c04587
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Julian Ludwig, Christian Curado-Carballada, Stephan C. Hammer, Andreas Schneider, Svenja Diether, Nico Kress, Sergi Ruiz-Barragán, Sílvia Osuna, Bernhard Hauer
Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases
Angew Chem Int Ed, 2024, 63, e202318913
DOI: 10.1002/anie.202318913
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Jonathan Trouvé, Vanessa Delahaye, Michele Tomasini, Purushothaman Rajeshwaran, Thierry Roisnel, Albert Poater, Rafael Gramage-Doria
Repurposing a supramolecular iridium catalystvia secondary Zn—O=C weak interactions between the ligand and substrate leads toortho -selective C(sp2 )–H borylation of benzamides with unusual kinetics
Chem. Sci., 2024, 15, 11794-11806
DOI: 10.1039/D4SC01515K
OpenAccess: Link
Keywords: Chemical bonding, Computational chemistry, Enzyme design, Organometallics, Sustainable Catalysis

Jordi Soler, Sebastian Gergel, StephanC Hammer, Marc Garcia-Borràs
Molecular Basis for Chemoselectivity Control in Oxidations of Internal Aryl‐Alkenes Catalyzed by Laboratory Evolved P450s
ChemBioChem, 2024, 25, e202400066
DOI: 10.1002/cbic.202400066
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp

Kai H. Schülke, Jana S. Fröse, Alina Klein, Marc Garcia-Borràs, Stephan C. Hammer
Efficient Transferase Engineering for SAM Analog Synthesis from Iodoalkanes
ChemBioChem, 2024, 25, e202400079
DOI: 10.1002/cbic.202400079
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp

Francesca Peccati, Elizabeth L. Noey, K.N. Houk, Sílvia Osuna, Gonzalo Jiménez-Osés
Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases
ChemCatChem, 2024, 16, e202400444
DOI: 10.1002/cctc.202400444
OpenAccess: Link
Keywords: Enzyme design

Carlos Acevedo-Rocha, Lukasz Berlicki, Uwe T. Bornscheuer, Dominic J. Campopiano, Pimchai Chaiyen, Janko Čivić, Zhiqi Cong, Friedrich Johannes Ehinger, Sabine Flitsch, Artur Góra, Marko Hanzevacki, Jeremy N. Harvey, Donald Hilvert, Florian Hollfelder, Amanda G. Jarvis, Bruce R. Lichtenstein, Stefan Lutz, Thomas Malcomson, E. Neil G. Marsh, Neil R. McFarlane, Alexander McKenzie, Adrian Mulholland, Sílvia Osuna, Joelle N. Pelletier, Agata Raczyńska, Gerard Roelfes, Lubomír Rulíšek, Peter Stockinger, Nicholas Turner, Francesca Valetti, Marc Van der Kamp, Mikael Widersten, Cathleen Zeymer
Enzyme evolution, engineering and design: mechanism and dynamics: general discussion
Faraday Discuss., 2024, 252, 127-156
DOI: 10.1039/D4FD90022G
OpenAccess: –
Keywords: Enzyme design

Cristina Duran, Guillem Casadevall, Sílvia Osuna
Harnessing Conformational Dynamics in Enzyme Catalysis to achieve Nature-like catalytic efficiencies: The Shortest Path Map tool for computational enzyme design
Faraday Discuss., 2024, 252, 306-322
DOI: 10.1039/D3FD00156C
OpenAccess: Link
Keywords: Enzyme design

Carlos Acevedo-Rocha, Amulyasai Bakshi, Uwe T. Bornscheuer, Dominic J. Campopiano, Janko Čivić, Ivana Drienovská, Friedrich Johannes Ehinger, Andrew Gomm, Artur Góra, AnthonyP. Green, Marko Hanzevacki, Jeremy N. Harvey, Donald Hilvert, Meilan Huang, Amanda G. Jarvis, Shina Caroline Lynn Kamerlin, Bruce R. Lichtenstein, Louis Y. P. Luk, Stefan Lutz, E. Neil G. Marsh, Alexander McKenzie, Vicent Moliner, Adrian Mulholland, Sílvia Osuna, Joelle N. Pelletier, Agata Raczyńska, Aditya Gopalakrishna Rao, Guto G. Rhys, Gerard Roelfes, Lubomír Rulíšek, Peter Stockinger, Katarzyna Szleper, SeanAdeoti Thompson, Nicholas Turner, Marc Van der Kamp, Guangcai Xu, Cathleen Zeymer
Artificial, biomimetic and hybrid enzymes: general discussion
Faraday Discuss., 2024, 252, 354-386
DOI: 10.1039/D4FD90024C
OpenAccess: –
Keywords: Enzyme design

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