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. Author manuscript; available in PMC: 2013 Apr 21.
Published in final edited form as: Chem Soc Rev. 2012 Jan 26;41(8):3025–3038. doi: 10.1039/c2cs15297e

Fig. 11.

Fig. 11

B3LYP/6–31(d)/CHARMM27 QM/MM energy profiles for the Claisen rearrangement of chorismate to prephenate in (a) water and (b) chorismate mutase. Representative structures are shown for (c) chorismate, (e) prephenate and (d) the transition state for the rearrangement. Reproduced from ref.44.