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Theory of transition states.
All the transition states have imaginary frequencies.
The positions of transition states are indicated by vertical lines.
Thus, dynamic descriptions of enzymatic transition states are required.
Transition states are the balance point of catalysis.
The specific transition states are characterized by defined inter-protein orientations, which cannot be modeled for the diffusive transition states.
The transition states were characterised by calculating the vibrational frequencies.
A more detailed environment representation is then necessary, at least around transition states.
Frequency calculations proved transition states to have exactly one imaginary frequency with the correct transition vector.
The inset shows the structures of four transition states, TS1B7, TS2B7, TS1B9, and TS2B9.
The Optimization structure of transition states as shown in Fig. 7b.
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