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Rate (per nanosecond) of elementary transfer steps of hole transfer along three tryptophan side chains in E. coli DNA photolyase. Data obtained with MF multi-scale simulation and with the Marcus theory (using several sets of values for the Marcus parameters), as well as the experimental reference. All data taken from [34].
| transfer step | our work | Marcus theory | experiment |
|---|---|---|---|
| Trp1 → Trp2 | 12 | 5–290 | 110 |
| Trp2 → Trp3 | 15 | <0.0003 | 33 |
