The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approach.
Alagona G, Ghio C, Kollman PA.
Alagona G, et al.
J Comput Chem. 2003 Jan 15;24(1):46-56. doi: 10.1002/jcc.10153.
J Comput Chem. 2003.
PMID: 12483674
The intramolecular mechanism we earlier proposed [Alagona, G.; Desmeules, P.; Ghio, C.; Kollman, P. A. J Am Chem Soc 1984, 106, 3623] for the second proton transfer of the reaction catalyzed by triosephosphate isomerase (TIM) is examined ab initio at the HF and MP2/ …
The intramolecular mechanism we earlier proposed [Alagona, G.; Desmeules, P.; Ghio, C.; Kollman, P. A. J Am Chem Soc 1984, 106 …