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UDP-glucose conformations were docked onto dummy atoms with Dock with all default parameters in Triangle Matcher retaining 100 poses with London dG scoring (estimates free energy of binding, based upon entropy changes, loss of flexibility of the ligand, hydrogen bond geometry, and desolvation of all atoms) and refined, retaining 30 poses using Alpha HB rescoring (with equal weights for hydrogen bonds and geometry of ligand-receptor fit)

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What are treatment implications for patient with MTHFR variants