Abstract
Historically, almost the entire range of possible types of structure and energy calculations (including dynamics) has been applied to the study of metalloenzymes. It is useful to consider the strengths and weaknesses of these types of calculation and their role in determining the characteristics of metalloenzymes and their reaction mechanisms. Table 1 shows a schematic view of the types of calculation and their role in the investigative process.
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© 1997 Springer Science+Business Media Dordrecht
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Clark, T., Gedeck, P., Lanig, H., Schürer, G. (1997). Semi-Empirical Mo Calculations on Enzyme Reaction Mechanisms. In: Banci, L., Comba, P. (eds) Molecular Modeling and Dynamics of Bioinorganic Systems. NATO ASI Series, vol 41. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5171-9_14
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DOI: https://doi.org/10.1007/978-94-011-5171-9_14
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