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: Structure of MbQ NMH Date: 2018-01-30 00:00:00 UTC
Description: Structure of MbQ NMH
DOI: 10.2210/pdb5ojb/pdb
Location: http://www.ebi.ac.uk/pdbe-srv/view/entry/5ojb/summary
Article: A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold
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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: 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: mmc1.pdf Date: 2020-10-01 00:00:00 UTC
Description: Supplementary data for Improving Photocatalytic Energy Conversion via NAD(P)H
DOI:
Location: https://www.cell.com/cms/10.1016/j.joule.2020.07.024/attachment/784c5b63-f667-4b70-a216-330aa6d0ae59/mmc1.pdf
Article: Improving Photocatalytic Energy Conversion via NAD(P)H
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Name: 1OAF Date: 2020-12-24 00:00:00 UTC
Description: Related Article: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded...
DOI:
Location: http://identifiers.org/pdbe/pdb:1OAF
Article: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code
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Name: 1ZBY Date: 2020-12-24 00:00:00 UTC
Description: Related Article: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded...
DOI:
Location: http://identifiers.org/pdbe/pdb:1ZBY
Article: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code
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Name: structure of reductive aminase from neosartorya fumigata in complex with nadp+ Date: 2021-07-13 00:00:00 UTC
Description: Related Article: Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reduc...
DOI:
Location: http://www.ebi.ac.uk/pdbe-srv/view/entry/6sle/summary
Article: Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases
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Name: structure of reductive aminase from neosartorya fumigata Date: 2021-07-13 00:00:00 UTC
Description: Related Article: Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reduc...
DOI:
Location: http://www.ebi.ac.uk/pdbe-srv/view/entry/6skx/summary
Article: Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases
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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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