Kinetic Models
The kinetic model (specified with the -d or --model option) defines the type of exchange model to be used for data analysis. Available models include:
| 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 studies |
2st_hd | 2-state exchange model for H/D solvent exchange studies |
2st_eyring | 2-state exchange model for temperature-dependent studies |
3st_eyring | 3-state exchange model for temperature-dependent studies |
2st_binding | 2-state exchange model for ligand binding studies |
4st_hd | 4-state exchange model for simultaneous normal and H/D solvent exchange studies |
In these models, each state in the exchange process is represented with a unique parameter suffix (A, B, C, D, etc.). For example, R1_A denotes the R1 relaxation rate of the major (ground) state, while R2_B refers to the R2 rate of the first minor state, and so forth.
note
For any kinetic model, you can add the .mf suffix to create a model that fits model-free parameters directly (e.g., TAUC_A, S2_A), rather than individual relaxation parameters (e.g., R1_A, R2_A). For an example, see CEST_15N_TR/ under Examples/Experiments/.