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. 2008 Apr 18;15(Pt 3):239–242. doi: 10.1107/S0909049507068586

Table 2. Charge transfer from receptor to inhibitor, Inline graphic, at the active site (in a.u.).

Active site Ligand Inline graphic Inline graphic Inline graphic
Asp25 AH1 −0.7354 −0.7558 0.0204
  BEH −0.7445 −0.8009 0.0564
Asp124 AH1 −0.77786 −0.77473 −0.0031
  BEH −0.82909 −0.81347 −0.0156