Abstract
Some problems concerning the reaction mechanisms of papain and thiolsubtilisin are discussed. Results of ab initio SCF calculations, which contributed to the solution of those problems, are briefly reviewed. It is concluded that the environment of an enzyme’s active site plays an important part in the activity.
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van Duijnen, P.T., Thole, B.T. (1982). Environmental Effects on Proton Transfer. Ab Initio Calculations on Systems in a Semi-Classical, Polarizable Environment. In: Daudel, R., Pullman, A., Salem, L., Veillard, A. (eds) Quantum Theory of Chemical Reactions. Quantum Theory Chemical Reactions, vol 3. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-6918-7_6
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DOI: https://doi.org/10.1007/978-94-015-6918-7_6
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