Structural basis of terephthalate recognition by solute binding protein TphC
Authors (10): T. Gautom, D. Dheeman, C. W. Levy, et.al Publisher: Nature Communications DOI: 10.1038/s41467-021-26508-0 journal-article Themes: Biocatalysis

Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Authors (8): Z. Yang, R. M. Twidale, S. Gervasoni, et.al Publisher: Journal of Chemical Information and Modeling DOI: 10.1021/acs.jcim.1c01109 journal-article Themes: Biocatalysis

Multiscale Simulations Identify Origins of Differential Carbapenem Hydrolysis by the OXA-48 β-Lactamase
Authors (5): V. H. A. Hirvonen, T. M. Weizmann, A. J. Mulholland, et.al Publisher: ACS Catalysis DOI: 10.1021/acscatal.1c05694 journal-article Themes: Biocatalysis

Enzyme evolution and the temperature dependence of enzyme catalysis
Authors (4): V. L. Arcus, M. W. van der Kamp, C. R. Pudney, et.al Publisher: Current Opinion in Structural Biology DOI: 10.1016/j.sbi.2020.06.001 journal-article Themes: Biocatalysis

Direct Observation of Ammonia Storage in UiO-66 Incorporating Cu(II) Binding Sites
Authors (21): Y. Ma, W. Lu, X. Han, et.al Publisher: Journal of the American Chemical Society DOI: 10.1021/jacs.2c00952 journal-article Themes: Biocatalysis

Biocatalysis in Flow for Drug Discovery
Authors (2): I. Peñafiel, S. C. Cosgrove Publisher: Topics in Medicinal Chemistry DOI: 10.1007/7355_2021_116 book-chapter Themes: Biocatalysis

Comment on: “Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme”
Authors (7): A. Lear, J. L. R. Anderson, D. Hilvert, et.al Publisher: ACS Catalysis DOI: 10.1021/acscatal.3c01906 journal-article Themes: Biocatalysis

Visualizing the protons in a metalloenzyme electron proton transfer pathway
Authors (11): H. Kwon, J. Basran, J. M. Devos, et.al Publisher: Proceedings of the National Academy of Sciences DOI: 10.1073/pnas.1918936117 journal-article Themes: Biocatalysis

One‐Pot Synthesis of Chiral N‐Arylamines by Combining Biocatalytic Aminations with Buchwald–Hartwig N‐Arylation
Authors (5): S. C. Cosgrove, M. P. Thompson, S. T. Ahmed, et.al Publisher: Angewandte Chemie International Edition DOI: 10.1002/anie.202006246 journal-article Themes: Biocatalysis

Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment
Authors (10): E. Lythell, J. Badley, R. Suardíaz, et.al Publisher: Journal of Chemical Information and Modeling DOI: 10.1021/acs.jcim.5c01338 journal-article Themes: Biocatalysis