Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI:
Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI:
Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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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: PDB Entry - 6TAE Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6TAE Neutron structure of ferric ascorbate peroxidase
DOI: 10.2210/pdb6tae/pdb
Location: https://www.wwpdb.org/pdb?id=pdb_00006TAE http://www.ebi.ac.uk/pdbe-srv/view/entry/6tae https://www.rcsb.org/structure/6TAE
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
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Name: PDB Entry - 6XV4 Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6XV4 Neutron structure of ferric ascorbate peroxidase-ascorbate complex
DOI: 10.2210/pdb6xv4/pdb
Location: https://www.wwpdb.org/pdb?id=pdb_00006XV4 http://www.ebi.ac.uk/pdbe-srv/view/entry/6xv4 https://www.rcsb.org/structure/6XV4
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
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Name: PDB Entry - 7QVH The crystal structure of HotPETase, an evolved thermostable variant of IsPETase Date: 2023-02-15 00:00:00 UTC
Description: PDB Entry - 7QVH(Status - Released) summary information: Title: The crystal structure of HotPETa...
DOI: 10.2210/pdb7qvh/pdb
Location: https://www.wwpdb.org/pdb?id=pdb_00007qvh http://www.ebi.ac.uk/pdbe-srv/view/entry/7qvh https://www.rcsb.org/structure/7QVH
Article: Directed evolution of an efficient and thermostable PET depolymerase
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Name: SD2I Date: 2023-05-15 00:00:00 UTC
Description: The Single Digit to Image (SD2I) tensorflow-based image reconstruction tool.
DOI:
Location: https://github.com/robindong3/SD2I
Article: A scalable neural network architecture for self-supervised tomographic image reconstruction
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Name: SI for: An N‐Heterocyclic Boryloxy Ligand Isoelectronic with N‐Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners Date: 2019-03-25 00:00:00 UTC
Description: Related Article: Loh, Ying Kai, Ying, Lu, Ángeles\u2005Fuentes, M., Do, Dinh Cao Huan, Aldridge,...
DOI:
Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fanie.201812058&file=anie201812058-sup-0001-misc_information.pdf
Article: An N‐Heterocyclic Boryloxy Ligand Isoelectronic with N‐Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners
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Name: SI for: Successive Protonation of an N-Heterocyclic Imine Derived Carbonyl: Superelectrophilic Dication Versus Masked Acylium Ion Date: 2018-12-04 00:00:00 UTC
Description: Related Article: Loh, Ying Kai, Ángeles\u2005Fuentes, M., Vasko, Petra, Aldridge, Simon(2018) Su...
DOI:
Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fange.201810709&file=ange201810709-sup-0001-misc_information.pdf
Article: Successive Protonation of an N-Heterocyclic Imine Derived Carbonyl: Superelectrophilic Dication Versus Masked Acylium Ion
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Name: Supporting Information Design, Identification, and Evolution of a Surface Ruthenium(II/III)Single Site for CO Activation Date: 2020-09-25 00:00:00 UTC
Description: Supplementary
DOI:
Location: https://onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fange.202008370&file=ange202008370-sup-0001-misc_information.pdf
Article: Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation
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