L-2-hydroxyglutarate production arises from non-canonical enzyme function at acidic pH: Docking and MCCE2 calculation data set
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https://figshare.com/articles/dataset/L-2-hydroxyglutarate_production_results_from_non-canonical_enzyme_function_at_acidic_pH_zip/4289894/3
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L-2-hydroxyglutarate production arises from non-canonical enzyme function at acidic pH<br>Contained within are input and output files for the docking and MCCE calculations performed accompanying the manuscript by Intlekofer et al. <br>Inside the zip file, see the `Docking` folder for files used in the docking procedures. Docking was performed using Maestro as part of Schrodinger release 2015-3. <br>See the `MCCE` folder for files used for the MCCE2 calculations for Lactate dehydrogenase A. MCCE calculations were performed using MCCE2 (https://sites.google.com/site/mccewiki/install-mcce). Epik calculations were performed using Schrodinger release 2015-3.
提供机构：
figshare
创建时间：
2016-12-09
