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Citation: Pa. Kollman et al., Elucidating the nature of enzyme catalysis utilizing a new twist on an oldmethodology: Quantum mechanical - Free energy calculations on chemical reactions in enzymes and in aqueous solution, ACC CHEM RE, 34(1), 2001, pp. 72-79

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Citation: O. Donini et al., QM-FE calculations of aliphatic hydrogen abstraction in citrate synthase and in solution: Reproduction of the effect of enzyme catalysis and demonstration that an enolate rather than an enol is formed, J AM CHEM S, 122(49), 2000, pp. 12270-12280

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