Biological enzyme modeling cluster models

The examples to be presented illustrate the diversity of fields of applications, but they are mentioned in outline form only. Many biological phenomena used to be modelled by real or formal kinetic models. A biochemical control theory that is partially based on non-mass-action-type enzyme kinetics seems to be under elaboration, and certain aspects will be illustrated. A few specific models of fluctuation and oscillation phenomena in neurochemical systems will be presented. The formal structure of population dynamics is quite similar to that of chemical kinetics, and models referring to different hierarchical levels from elementary genetics to ecology are well-known examples. Polymerisation, cluster formation and recombination kinetics from the physical literature will be mentioned briefly. Another question to be discussed is how electric-circuit-like elements can be constructed in terms of chemical kinetics. Finally, kinetic theories of selection will be mentioned. 

The first Car-Parrinello study of a biological system was performed in the mid-90 s on a gas phase cluster model of the active site of superoxide dismutase. " Since then a rapidly increasing number of applications have been reported. One example, an AIMD study of the zinc metallo enzyme Human Carbonic Anhydrase II (HCAJI), " is shown in Figme 5. 

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