Supplementary material for "Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate"
Posted on 2016-11-21 - 17:16 authored by Christof Jaeger
Supplementary structures and DFT outputs for "Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate"
- xyz coordinate files
- (truncated) Gaussian output files
(Note: xyz files in publication naming, gout files not! xlsx file contains both)
related publication:
Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate
C. M. Jaeger, Anna K. Croft, Chem. Eur J.
DOI: 10.1002/chem.201604719
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Jaeger, Christof (2016). Supplementary material for "Radical Reaction Control in the AdoMet Radical Enzyme CDG Synthase (QueE): Consolidate, Destabilize, Accelerate". figshare. Collection. https://doi.org/10.6084/m9.figshare.c.3574113.v1
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