Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB

Derived data accompanying publication of Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB (Zhang et al., PNAS 2024).

This dataset contains data for fold-switching of KaiB from simulations performed using the Upside coarse-grained model (Jumper et al. PLoS Comput. Bio 2017). Files contained include collective variables, kinetic quantities (committors), and initial structures used to seed unbiased simulations. These data should be sufficient recreate the analysis shown in the associated publicaion. Raw trajectory files have not been deposited due to their size; contact the author (Spencer Guo) to request.