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1 to 10 of 12 Results
Replication Data for: Mechanistic Insights into Cyclodipeptide Formation by Cyclodipeptide Synthases: A Preliminary Exploration on Pathways and Catalytic Residues
Jul 2, 2024
Trant, John, 2024, "Replication Data for: Mechanistic Insights into Cyclodipeptide Formation by Cyclodipeptide Synthases: A Preliminary Exploration on Pathways and Catalytic Residues", https://doi.org/10.5683/SP3/6O4U6K, Borealis, V1
This includes all geometries, transition states, and intermediates calculated in both the gas and solution phases that are discussed in the main article.
Replication Data for: Decoding the Enigma of RNA-Protein Recognition: Quantum Chemical Insights into Arginine Fork Motifs
Apr 26, 2024
Trant, John, 2024, "Replication Data for: Decoding the Enigma of RNA-Protein Recognition: Quantum Chemical Insights into Arginine Fork Motifs", https://doi.org/10.5683/SP3/JVLQ7J, Borealis, V1
This dataset includes all the computational input and output geometries used in the analyses for the paper. They are provided in an effort to simplify reanalysis or comparison in accordance with the values of open science.
Replication Data for: Computational Insights into the Thermophysical, Conformational and Electronic Properties of Diketopyrrolopyrrole and Isoindigo Based Semiconducting Polymers
Dec 11, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Replication Data for: Computational Insights into the Thermophysical, Conformational and Electronic Properties of Diketopyrrolopyrrole and Isoindigo Based Semiconducting Polymers", https://doi.org/10.5683/SP3/AMRLWF, Borealis, V1
Replication data for the named study
Replication Data for: A Mechanistic Model Explaining Ligand Affinity for, and Partial Agonism of, Cannabinoid Receptor 1
Nov 6, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Replication Data for: A Mechanistic Model Explaining Ligand Affinity for, and Partial Agonism of, Cannabinoid Receptor 1", https://doi.org/10.5683/SP3/3KJKR8, Borealis, V1
Computational data for the models described in the article.
Replication Data for: Spy1-activated Cyclin Dependent Kinase 2 Shows Reduced Affinity for Current Synthetic Small Molecule Inhibitors of the CDK2-Cyclin Complex
Oct 25, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Replication Data for: Spy1-activated Cyclin Dependent Kinase 2 Shows Reduced Affinity for Current Synthetic Small Molecule Inhibitors of the CDK2-Cyclin Complex", https://doi.org/10.5683/SP3/P3XZUA, Borealis, V1
Contains computational data and co-ordinates for the files used to generate the data in the referenced article.
Additional Replication Data for: Liver-Type Fatty Acid Binding Protein (FABP1) Has Exceptional Affinity for Minor Cannabinoids
Sep 20, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Additional Replication Data for: Liver-Type Fatty Acid Binding Protein (FABP1) Has Exceptional Affinity for Minor Cannabinoids", https://doi.org/10.5683/SP3/9HCGOM, Borealis, V1
Additional data, including input and output co-ordinates used in the paper, to regenerate the same data
Additional computational chemistry data for: An Atlas of the base inter-RNA stacks involved in bacterial translation
Aug 16, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Additional computational chemistry data for: An Atlas of the base inter-RNA stacks involved in bacterial translation", https://doi.org/10.5683/SP3/E9PY6Q, Borealis, V1, UNF:6:OrfrJGVs5Xy2YG/U/218cQ== [fileUNF]
A list of all analyzed stacking interactions, including their geometric, spatial, and energetic parameters; optimized structures of all systems used to generate that list.
Additional data for Synthesis, biological evaluation, and molecular docking study of xanthene-linked thiosemicarbazones as cholinesterase inhibitors
Jun 16, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Additional data for Synthesis, biological evaluation, and molecular docking study of xanthene-linked thiosemicarbazones as cholinesterase inhibitors", https://doi.org/10.5683/SP3/PGFF0C, Borealis, V1
Additional raw data, including computational co-ordinates, and NMR .FID files for Naseem, Khan and co-workers "Synthesis, biological evaluation, and molecular docking study of xanthene-linked thiosemicarbazones as cholinesterase inhibitors"
Replication Data for: Adsorption Behavior of Boron Nitride Nanotubes and Their Boron and Nitrogen Vacancy Defects towards Deep Eutectic Solvents: A DFT Study
Jun 8, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Replication Data for: Adsorption Behavior of Boron Nitride Nanotubes and Their Boron and Nitrogen Vacancy Defects towards Deep Eutectic Solvents: A DFT Study", https://doi.org/10.5683/SP3/J1KJFQ, Borealis, V1
Co-ordinates for all structures in the article for ease of analysis
Additional Replication Data for: Adsorption Behavior of Boron Nitride Nanotubes and Their Boron and Nitrogen Vacancy Defects towards Deep Eutectic Solvents: A DFT Study
Jun 5, 2023 - University of Windsor Dataverse
Trant, John, 2023, "Additional Replication Data for: Adsorption Behavior of Boron Nitride Nanotubes and Their Boron and Nitrogen Vacancy Defects towards Deep Eutectic Solvents: A DFT Study", https://doi.org/10.5683/SP3/ENHOK6, Borealis, V1
Additional Data, files, co-ordinates, and visualizations of processed data for the publication
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