Directed evolution of nonheme iron enzymes to access abiological radical-relay C(sp3)−H azidation J Rui, Q Zhao, AJ Huls, J Soler, JC Paris, Z Chen, V Reshetnikov, Y Yang, ... Science 376 (6595), 869-874, 2022 | 60 | 2022 |
Enzymatic control over reactive intermediates enables direct oxidation of alkenes to carbonyls by a P450 iron-oxo species J Soler, S Gergel, C Klaus, SC Hammer, M Garcia-Borràs Journal of the American Chemical Society 144 (35), 15954-15968, 2022 | 37 | 2022 |
Accessing chemo-and regioselective benzylic and aromatic oxidations by protein engineering of an unspecific peroxygenase A Knorrscheidt, J Soler, N Hünecke, P Püllmann, M Garcia-Borràs, ... ACS catalysis 11 (12), 7327-7338, 2021 | 35 | 2021 |
How can linoleic acid be the preferential substrate of the enzyme 15-lipoxygenase-1? A QM/MM approach J Soler, P Saura, D Garcia-Lopez, L Masgrau, JM Lluch, ... The Journal of Physical Chemistry B 120 (8), 1950-1960, 2016 | 30 | 2016 |
Simultaneous screening of multiple substrates with an unspecific peroxygenase enabled modified alkane and alkene oxyfunctionalisations A Knorrscheidt, J Soler, N Hünecke, P Püllmann, M Garcia-Borràs, ... Catalysis Science & Technology 11 (18), 6058-6064, 2021 | 28 | 2021 |
Selective Biocatalytic N‐Methylation of Unsaturated Heterocycles F Ospina, KH Schülke, J Soler, A Klein, B Prosenc, M Garcia‐Borràs, ... Angewandte Chemie International Edition 61 (48), e202213056, 2022 | 22 | 2022 |
Engineered cytochrome P450 for direct arylalkene-to-ketone oxidation via highly reactive carbocation intermediates S Gergel, J Soler, A Klein, KH Schülke, B Hauer, M Garcia-Borràs, ... Nature Catalysis 6 (7), 606-617, 2023 | 20 | 2023 |
Computational-Aided Engineering of a Selective Unspecific Peroxygenase toward Enantiodivergent β-Ionone Hydroxylation J Münch, J Soler, N Hünecke, D Homann, M Garcia-Borràs, ... ACS Catalysis 13, 8963-8972, 2023 | 14 | 2023 |
Theoretical Rationalization of the Dual Photophysical Behavior of C60+ J Soler, R Sarkar, M Boggio-Pasqua The Journal of Physical Chemistry A 123 (9), 1824-1829, 2019 | 9 | 2019 |
Engineering non-haem iron enzymes for enantioselective C(sp3)–F bond formation via radical fluorine transfer Q Zhao, Z Chen, J Soler, X Chen, J Rui, NT Ji, QE Yu, Y Yang, ... Nature Synthesis, 1-9, 2024 | 6 | 2024 |
Unraveling the cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations J Soler, P Paiva, MJ Ramos, PA Fernandes, M Brut Physical Chemistry Chemical Physics 23 (15), 9524-9531, 2021 | 4 | 2021 |
A protocol to obtain multidimensional quantum tunneling corrections derived from QM (DFT)/MM calculations for an enzyme reaction J Soler, À González-Lafont, JM Lluch Physical Chemistry Chemical Physics 22 (46), 27385-27393, 2020 | 3 | 2020 |
Molecular Basis for Chemoselectivity Control in Oxidations of Internal Aryl-Alkenes Catalyzed by Laboratory Evolved P450s J Soler, S Gergel, S Hammer, M Garcia-Borràs | 1 | 2024 |
Biocatalytic asymmetric aldol addition into unactivated ketones S Bruffy, A Meza, J Soler, T Doyon, S Young, J Lim, K Huseth, ... | | 2023 |
Structural and mechanistic views of enzymatic, heme-dependent nitrogen-nitrogen bond formation MA Higgins, X Shi, J Soler, JB Harland, T Parkkila, N Lehnert, ... bioRxiv, 2023.12. 15.571702, 2023 | | 2023 |