Name: AAC.00564-19-s0001.pdf Date: 2019-09-23 00:00:00 UTC
Description: Supplementary data for Molecular Basis of Class A β-Lactamase Inhibition by Relebactam
DOI:
Location: https://aac.asm.org/content/aac/suppl/2019/09/12/AAC.00564-19.DCSupplemental/AAC.00564-19-s0001.pdf
Article: Molecular Basis of Class A β-Lactamase Inhibition by Relebactam
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Name: LanCL Date: 2021-05-12 00:00:00 UTC
Description: Mass spectrometry and Western blot data supporting the function of LanCL proteins published in C...
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Name: Cyclohexanone monooxygenase Date: 2017-04-20 00:00:00 UTC
Description:
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Article: Biocatalytic Routes to Lactone Monomers for Polymer Production
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Name: rsta20200058supp1.docx Date: 2020-07-06 00:00:00 UTC
Description: Supplementary data for Methanol photo-reforming with water on pure titania for hydrogen production
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Location: https://royalsocietypublishing.org/action/downloadSupplement?doi=10.1098%2Frsta.2020.0058&file=rsta20200058supp1.docx
Article: Methanol photo-reforming with water on pure titania for hydrogen production
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Name: A0A1C3NEV1 · A0A1C3NEV1_ECOLX Protein Putative integral membrane protein Date: 2019-01-18 00:00:00 UTC
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Name: Supplemental Information 1: Molecular xyz coordinates Date: 2020-05-20 00:00:00 UTC
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Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1
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Name: Table S1: Coordinates of 29 molecules optimized at the B3LYP/6-311+G(d) level Date: 2020-05-20 00:00:00 UTC
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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
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Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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Name: Table S3: Reaction energies (in kcal mol−1) of reaction 1–20 calculated by 24 quantum mechanics methods Date: 2020-05-20 00:00:00 UTC
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Name: Table S4: Errors of reaction energies (in kcal mol−1) of reaction 1–20, relative to the CCSD(T)/aug-cc-pVTZ results Date: 2020-05-20 00:00:00 UTC
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Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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