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Results: 6

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

Qun Zhao, Zhenhong Chen, Jordi Soler, Xiahe Chen, Jinyan Rui, Nathan Tianlin Ji, Qinglan E. Yu, Yunfang Yang, Marc Garcia-Borràs, Xiongyi Huang
Engineering non-haem iron enzymes for enantioselective C(sp3)–F bond formation via radical fluorine transfer
Nat. Synth, 2024, 3, 958-966
DOI: 10.1038/s44160-024-00507-7
OpenAccess: –
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp, Reaction mechanisms

Judith Münch, Jordi Soler, Nicole Hünecke, Dominik Homann, Marc Garcia-Borràs, Martin J. Weissenborn
Computational-Aided Engineering of a Selective Unspecific Peroxygenase toward Enantiodivergent β-Ionone Hydroxylation
ACS Catal., 2023, 13, 8963-8972
DOI: 10.1021/acscatal.3c00702
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp

Carla Calvó-Tusell, Zhen Liu, Kai Chen, Frances H. Arnold, Marc Garcia-Borràs
Reversing the Enantioselectivity of Enzymatic Carbene N–H Insertion Through Mechanism‐Guided Protein Engineering
Angew Chem Int Ed, 2023, 62, e202303879
DOI: 10.1002/anie.202303879
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp

Sebastian Gergel, Jordi Soler, Alina Klein, KaiH. Schülke, Bernhard Hauer, Marc Garcia-Borràs, StephanC. Hammer
Engineered cytochrome P450 for direct arylalkene-to-ketone oxidation via highly reactive carbocation intermediates
Nat Catal, 2023, 6, 606-617
DOI: 10.1038/s41929-023-00979-4
OpenAccess: Link
Keywords: Biocatalysis, Computational chemistry, Enzyme design, Joint Exp-Comp, Sustainable Catalysis

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