COLLABORATION NETWORK
Publications
Modern Developments in Catalysis (Volume 2)
Title: Modern Developments in Catalysis (Volume 2) Year: 2023 Authors (9):G. J. Hutchings, M. G. Davidson, C. R. A. Catlow, et.al Journal: World Scientific Europe DOI: 10.1142/q0354 Type: edited-book Themes: Core
Comment on: “Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme”
Title: Comment on: “Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme” Year: 2023 Authors (7):A. Lear, J. L. R. Anderson, D. Hilvert, et.al Journal: ACS Catalysis DOI: 10.1021/acscatal.3c01906 Type: journal-article Themes: Biocatalysis
Title: Free energy along drug-protein binding pathways interactively sampled in virtual reality Year: 2023 Authors (6):H. M. Deeks, K. Zinovjev, J. Barnoud, et.al Journal: Scientific Reports DOI: 10.1038/s41598-023-43523-x Type: journal-article Themes: New Catalysts, Water-Energy, Circular Economy, Core
Title: Visualizing the protons in a metalloenzyme electron proton transfer pathway Year: 2020 Authors (11):H. Kwon, J. Basran, J. M. Devos, et.al Journal: Proceedings of the National Academy of Sciences DOI: 10.1073/pnas.1918936117 Type: 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
Title: Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Molecular Dynamics Simulations in the Membrane Environment Year: 2025 Authors (10):E. Lythell, J. Badley, R. Suardíaz, et.al Journal: Journal of Chemical Information and Modeling DOI: 10.1021/acs.jcim.5c01338 Type: journal-article Themes: Biocatalysis
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