Skip to main content
. 2024 Jan 4;15:240. doi: 10.1038/s41467-023-44528-w

Fig. 6. Kinetics inference.

Fig. 6

The error in the prediction of the unbiased mean first-passage time of alanine tetrapeptide as a function of speedup for infrequent Metadynamics (iMetaD) simulations at different bias deposition rates, biasing the ψ3 angle (green squares). The results for a bias deposition rate of 50 ns−1 are highlighted with a gray circle. For this rate, we also performed iMetaD simulations with stochastic resetting (SR) at different resetting rates (orange triangles). Source data are provided as a Source Data file.