Data objects |
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Name: nb5289.pptx Date: 2020-11-20 00:00:00 UTC Description: Supplementary data for DLSR: a solution to the parallax artefact in X-ray diffraction computed t... DOI: Location: https://publcif.iucr.org/services/tools/figs/art2ppt.php?coedid=nb5289 Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data |
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 |
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 |
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 |
Name: Enlighten2 PyMOL plugin c Date: 2020-10-15 00:00:00 UTC Description: The Enlighten2 PyMOL plugin code can be downloaded directly from the project website (https://en... DOI: Location: https://enlighten2.github.io/ Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible |
Name: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data Date: 2020-01-01 00:00:00 UTC Description: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data DOI: 10.3204/pubdb-2020-04540 Location: https://bib-pubdb1.desy.de/record/452175 Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data |
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 |
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 |
Repository | Data objects |
---|---|
https://www.ccdc.cam.ac.uk | 353 |
https://pubs.acs.org | 173 |
https://www.rsc.org | 153 |
https://static-content.springer.com | 92 |
https://ars.els-cdn.com | 64 |
https://chemistry-europe.onlinelibrary.wiley.com | 55 |
https://onlinelibrary.wiley.com | 36 |
https://data.isis.stfc.ac.uk | 33 |
https://www.rcsb.org | 27 |
https://www.nature.com | 22 |
Summary | |
---|---|
Repositories | 79 |
Average: | 15.15 |
Maximum: | 353 |
Minimum: | 1 |
Groups | Data objects |
---|---|
1-5 | 59 |
6-10 | 7 |
11-15 | 3 |
more than 20 | 10 |
Group | Data objects |
---|---|
Compressed file [zip] | 14 |
Crystal structure [cif/pdbe] | 436 |
Dataset | 117 |
Document [pdf/html/docx/ppt] | 589 |
Media File (image/video) | 28 |
Software [app/api/service/source code] | 7 |
xyz | 6 |
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