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: 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: 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 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
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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
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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: 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: CCDC 2311960: Experimental Crystal Structure Determination CSD Entry: MOLCEZ Date: 2023-12-04 00:00:00 UTC
Description: MOLCEZ : catena-[(μ-2,2-[ethane-1,2-diylbis(azanylylidenemethanylylidene)]bis[6-(2-methoxyethox...
DOI: 10.5517/ccdc.csd.cc2hlsc8
Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2311960
Article: Quantifying CO<sub>2</sub> Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts
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Name: CCDC 2311959: Experimental Crystal Structure Determination CSD Entry: MOLCAV Date: 2023-12-04 00:00:00 UTC
Description: MOLCAV : (μ-2,2-[ethane-1,2-diylbis(azanylylidenemethanylylidene)]bis[6-(2-methoxyethoxy)phenol...
DOI: 10.5517/ccdc.csd.cc2hlsb7
Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2311959
Article: Quantifying CO<sub>2</sub> Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts
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Name: CCDC 2311958: Experimental Crystal Structure Determination CSD Entry: MOLBUO Date: 2023-12-04 00:00:00 UTC
Description: MOLBUO : catena-[(μ-2,2-[ethane-1,2-diylbis(azanylylidenemethanylylidene)]bis[6-(2-methoxyethox...
DOI: 10.5517/ccdc.csd.cc2hls96
Location: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2311958
Article: Quantifying CO<sub>2</sub> Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts
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