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. Author manuscript; available in PMC: 2011 Jun 1.
Published in final edited form as: Eur J Med Chem. 2010 Feb 6;45(6):2291–2298. doi: 10.1016/j.ejmech.2010.02.004

Table 2.

Effect of mutations on binding properties of mAb 2E2. See text for definition of metrics, which are derived from ChemScore values expressed in kJ/mol.

Mutation specificity change cocaine affinity change
wild-type 0.0 0.0
Glu211Ala −0.2 1.6
Leu212Asp 0.1 −1.8
Tyr99Glu/Leu212Asp 0.3 −2.2
Tyr99Ser/Leu212Ser 0.3 −2.2
Tyr99Glu 0.6 −0.3