Name: Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries: Datasets Date: 2021-09-16 00:00:00 UTC
Description: Sinogram XRD-CT data used in the manuscript entitled "Cycling Rate-Induced Spatially-Resolved He...
DOI: 10.5281/zenodo.5172980
Location: https://zenodo.org/record/5172980
Article: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries
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Name: DLSR datasets Date: 2020-11-20 00:00:00 UTC
Description: Simulated and experimental xrd-ct datasets used for the Topas implementation of the DLSR algorithm
DOI: 10.5281/zenodo.4059828
Location: https://zenodo.org/record/4059828
Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
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Name: Data for 'Light-Driven, Posttranslation Installation of Reactive Protein Side Chains' Date: 2020-09-23 00:00:00 UTC
Description: C–C side chain alteration within intact proteins has the potential to allow native, chemical, po...
DOI: 10.5287/bodleian:9ewjq268q
Location: https://ora.ox.ac.uk/objects/uuid:2a618e7e-551b-4360-a2de-237453d49a31
Article: Light-driven post-translational installation of reactive protein side chains
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Name: Dataset Underpinning the Southampton Doctoral Thesis "Investigating Nanoscale Catalysts from Primary Growth to Catalytic Activity" Date: 2022-01-01 00:00:00 UTC
Description: Dataset Underpinning the Southampton Doctoral Thesis "Investigating Nanoscale Catalysts from Pri...
DOI: 10.5258/soton/d2092
Location: https://eprints.soton.ac.uk/467645/
Article: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization
Article: Controlling the Production of Acid Catalyzed Products of Furfural Hydrogenation by Pd/TiO 2
Article: Investigating nanoscale catalysts from primary growth to catalytic activity
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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: GT-Predict Date: 2018-11-12 00:00:00 UTC
Description: We utilized informatics and machine learning to build predictive software for enzyme functional ...
DOI: 10.5287/bodleian:zg5195kae
Location: https://ora.ox.ac.uk/objects/uuid:1b174bc0-4058-4057-8db4-59872c2b6d99
Article: Functional and informatics analysis enables glycosyltransferase activity prediction
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Name: LanCLs have C-glutathionylation activity with potential to trap the eliminylome Date: 2020-01-01 00:00:00 UTC
Description: Enzyme-mediated damage repair or containment, whilst common for nucleic acids, is rare for prote...
DOI: 10.5287/bodleian:qrn18xodg
Location: https://ora.ox.ac.uk/objects/uuid:d8729aad-ca98-4f06-b14a-0a75ea306584
Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
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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: Study of CO2 permeation in Zn2+â€modified Al2O3â€carbonate membrane Date: 2023-06-07 00:00:00 UTC
Description: Study of CO2 permeation in Zn2+â€modified Al2O3â€carbonate membrane
DOI: 10.25405/data.ncl.10318742
Location: https://data.ncl.ac.uk/articles/dataset/Study_of_CO_sub_2_sub_permeation_in_Zn_sup_2_sup_modified_Al_sub_2_sub_O_sub_3_sub_carbonate_membrane/10318742
Article: Study of CO<sub>2</sub> permeation in Zn<sup>2+</sup>‐modified Al<sub>2</sub>O<sub>3</sub>‐carbonate membrane
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Name: Supplemental Information 1: Molecular xyz coordinates Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-1
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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