Kinetic models
The kinetic model (indicated with -d or --model) indicates the type of
exchange model to be used for data analysis, which can be one of the following:
| Model Name | Description |
|---|---|
2st | 2-state exchange model (default) |
3st | 3-state exchange model |
4st | 4-state exchange model |
2st_rs | 2-state exchange model for residue-specific study |
2st_hd | 2-state exchange model for H/D solvent exchange study |
2st_eyring | 2-state exchange model for temperature-dependent study |
3st_eyring | 3-state exchange model for temperature-dependent study |
2st_binding | 2-state exchange model for ligand binding study |
4st_hd | 4-state exchange model for simultaneous normal and H/D solvent exchange study |
Multiple states involved in an exchange process are distinguished with different
parameter suffix A, B, C, D, etc. For example, R1_A represents
R1 rate of the major state (i.e., ground state), R2_B represents
R2 rate of the first minor state, and so on.
note
For each kinetic model, it is possible to add .mf suffix to create a new
kinetic model (e.g., 2st.mf). In such kinetic models, model-free parameters
(e.g., TAUC_A, S2_A, etc.) are directly fitted instead of each individual
relaxation parameter (e.g., R1_A, R2_A, etc.). See CEST_15N_TR/ under
Examples/Experiments/ as an example.