Name: supporting-info Date: 2020-10-14 00:00:00 UTC
Description: supporting-info
DOI:
Location: https://github.com/AlexanderHoffman/supporting-info
Article: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts
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Name: XAS Workflow Demo: Source Code Date: 2022-02-02 00:00:00 UTC
Description: Source Code for A Workflow Demonstrator for Processing Catalysis Research Data
DOI:
Location: https://github.com/UK-Catalysis-Hub/XAS-Workflow-Demo
Article: A Workflow Demonstrator for Processing Catalysis Research Data
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Name: Unraveling the H2 promotional effect on the Palladium catalysed CO oxidation using a combination of temporally and spatially resolved investigations Date: 2018-07-26 00:00:00 UTC
Description: Data underpinning publication in Stewart et al 2018, 'Unraveling the H2 promotional effect on th...
DOI: 10.17034/e97ee975-90e2-41f8-b28a-1ae1438dcb91
Location: https://pure.qub.ac.uk/portal/en/datasets/unraveling-the-h2-promotional-effect-on-the-palladium-catalysed-co-oxidation-using-a-combination-of-temporally-and-spatially-resolved-investigations(e97ee975-90e2-41f8-b28a-1ae1438dcb91).html
Article: Unraveling the H2Promotional Effect on Palladium-Catalyzed CO Oxidation Using a Combination of Temporally and Spatially Resolved Investigations
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Name: UK Catalysis Hub App (UKCHApp) Source Code Date: 2021-12-15 00:00:00 UTC
Description: Source code for Designing a data infrastructure for catalysis science aligned to FAIRdata principles
DOI:
Location: https://github.com/UK-Catalysis-Hub/ukcathubapp
Article: Designing a data infrastructure for catalysis science aligned to FAIR data principles
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Name: SD2I Date: 2023-05-15 00:00:00 UTC
Description: The Single Digit to Image (SD2I) tensorflow-based image reconstruction tool.
DOI:
Location: https://github.com/robindong3/SD2I
Article: A scalable neural network architecture for self-supervised tomographic image reconstruction
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Name: Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation Date: 2022-04-12 00:00:00 UTC
Description: Raw data used in the publication "Reductive site-selective atypical C,Z-type / N2–C2 cleavage ...
DOI: 10.5281/zenodo.5736482.svg
Location: https://zenodo.org/records/5736482
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
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Name: Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass - Supporting Data Date: 2022-05-17 00:00:00 UTC
Description: Supplementary material for Tables and Figures in the associated paper: Integration of Hydrotherm...
DOI: 10.5518/1154
Location: https://archive.researchdata.leeds.ac.uk/962/
Article: Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass
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Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files Date: 2022-06-18 00:00:00 UTC
Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information a...
DOI: 10.5281/zenodo.6659616.svg
Location: https://zenodo.org/records/6659616
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
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Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI:
Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI:
Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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