Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction

HIGHLIGHTS

• who: Alja Prah from the National Institute have published the paper: Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction, in the Journal: Scientific Reports Scientific Reports
• what: For this study, in the R45W variant the Arg45 residue was changed to Trp45, whereas in E446K Glu446 was changed to Lys446 using the UCSF Chimera u00adprogram48.
• how: The free_energy profiles were determined using the same EVB parameters that the authors obtained in the wild_type study (the off-diagonal matrix element Hij of 44.28 kcal u00admol-1 and the gas . . .
  

   

  

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