Table 3. Simulation length and Markov State Model hyperparameters for myosin isoforms.
| System | Structural state | Number of cluster centers | Lag time (ns) | Total simulation time (µs) | Median trajectory length(ns) | Maximum trajectory length(ns) |
|---|---|---|---|---|---|---|
| Skeletal Muscle Myosin | ADP*Pi | 50 | 5 | 89.0 | 21.2 | 1500 |
| β-Cardiac Muscle Myosin | ADP*Pi | 100 | 5 | 90.1 | 21.0 | 1500 |
| Nonmuscle Myosin IIA | ADP*Pi | 100 | 8 | 86.7 | 20.0 | 1500 |
| Smooth Muscle Myosin | ADP*Pi | 50 | 5 | 87.0 | 20.0 | 1500 |
| Skeletal Muscle Myosin | ATP | 100 | 5 | 2.7 | 910.0 | 925 |
| Myosin 7b | ADP*Pi | 100 | 5 | 100.8 | 375.0 | 1500 |