Marco Klahn - "Towards Accurate ab initio QM/MM calculations of free energy profiles of enzymatic reactions", E. Rosta, M. KlAhn and A. Warshel, 2005, J. Phys. Chem

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      Publication Details (including relevant citation   information): "Towards Accurate ab initio QM/MM   calculations of free energy profiles of enzymatic reactions", E.   Rosta, M. KlAhn and A. Warshel, 2005, J. Phys. Chem. B, 2006,   110(6), 2934-2941

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