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Name: Data for 'Light-Driven, Posttranslation Installation of Reactive Protein Side Chains' Date: 2020-09-23 00:00:00 UTC Description: C–C side chain alteration within intact proteins has the potential to allow native, chemical, po... DOI: 10.5287/bodleian:9ewjq268q Location: https://ora.ox.ac.uk/objects/uuid:2a618e7e-551b-4360-a2de-237453d49a31 Article: Light-driven post-translational installation of reactive protein side chains
Name: GT-Predict Date: 2018-11-12 00:00:00 UTC Description: We utilized informatics and machine learning to build predictive software for enzyme functional ... DOI: 10.5287/bodleian:zg5195kae Location: https://ora.ox.ac.uk/objects/uuid:1b174bc0-4058-4057-8db4-59872c2b6d99 Article: Functional and informatics analysis enables glycosyltransferase activity prediction
Name: Supplementary material from "Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors" Date: 2020-07-06 00:00:00 UTC Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr... DOI: 10.6084/m9.figshare.c.5007785.v1 Location: https://rs.figshare.com/collections/Supplementary_material_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors_/5007785 Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: LanCLs have C-glutathionylation activity with potential to trap the eliminylome Date: 2020-01-01 00:00:00 UTC Description: Enzyme-mediated damage repair or containment, whilst common for nucleic acids, is rare for prote... DOI: 10.5287/bodleian:qrn18xodg Location: https://ora.ox.ac.uk/objects/uuid:d8729aad-ca98-4f06-b14a-0a75ea306584 Article: LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome
Name: Numerical data and further representations on descriptors correlation from Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Date: 2020-01-01 00:00:00 UTC Description: Circular economy emphasizes the idea of transforming products involving economic growth and impr... DOI: 10.6084/m9.figshare.12429290 Location: https://rs.figshare.com/articles/Numerical_data_and_further_representations_on_descriptors_correlation_from_Biomass_hydrodeoxygenation_catalysts_innovation_from_atomistic_activity_predictors/12429290 Article: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Name: Supplementary information final from Methanol photo-reforming with water on pure titania for hydrogen production Date: 2020-01-01 00:00:00 UTC Description: Methanol photo-reforming with water on pure titania for hydrogen production DOI: 10.6084/m9.figshare.12376925.v1 Location: https://rs.figshare.com/articles/Supplementary_information_final_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production/12376925/1 Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplementary material from "Methanol photo-reforming with water on pure titania for hydrogen production" Date: 2020-01-01 00:00:00 UTC Description: The behaviour of titania for the photo-reforming of methanol with water at ambient temperature h... DOI: 10.6084/m9.figshare.c.4994573 Location: https://rs.figshare.com/collections/Supplementary_material_from_Methanol_photo-reforming_with_water_on_pure_titania_for_hydrogen_production_/4994573 Article: Methanol photo-reforming with water on pure titania for hydrogen production
Name: Supplemental Information 1: Molecular xyz coordinates Date: 2020-05-20 00:00:00 UTC Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho... DOI: 10.7717/peerj-pchem.8/supp-1 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1 Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Table S1: Coordinates of 29 molecules optimized at the B3LYP/6-311+G(d) level Date: 2020-05-20 00:00:00 UTC Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho... DOI: 10.7717/peerj-pchem.8/supp-2 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-2 Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
Name: Table S2: Molecular energies of molecular No.1 (M1) to molecular No.29 (M29) (in kcal mol−1) calculated by 24 QM methods using the structure optimized at the B3LYP/6-311+G(d) level as starting structures Date: 2020-05-20 00:00:00 UTC Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho... DOI: 10.7717/peerj-pchem.8/supp-3 Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-3 Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes