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: 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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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: 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: 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: Neutron diffraction of activated zeolite Date: 2022-01-01 00:00:00 UTC
Description: Data collected on the POLARIS instrument at the ISIS facility
DOI: 10.5286/isis.e.rb1990175-1
Location: https://topcat.isis.stfc.ac.uk/doi/INVESTIGATION/105573194/
Article: Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst
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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: Narupa 2 Protocol Date: 2022-04-25 00:00:00 UTC
Description: The programs necessary for running a standalone simulation of trypsin and benzamidine in Narupa ...
DOI:
Location: https://gitlab.com/intangiblerealities/narupa-protocol
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
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Name: PDB Entry - 6TAE Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6TAE Neutron structure of ferric ascorbate peroxidase
DOI: 10.2210/pdb6tae/pdb
Location: https://www.wwpdb.org/pdb?id=pdb_00006TAE http://www.ebi.ac.uk/pdbe-srv/view/entry/6tae https://www.rcsb.org/structure/6TAE
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
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Name: PDB Entry - 6XV4 Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6XV4 Neutron structure of ferric ascorbate peroxidase-ascorbate complex
DOI: 10.2210/pdb6xv4/pdb
Location: https://www.wwpdb.org/pdb?id=pdb_00006XV4 http://www.ebi.ac.uk/pdbe-srv/view/entry/6xv4 https://www.rcsb.org/structure/6XV4
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
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