MD simulations associated to the paper "A PDZ tandem repeat folds and unfolds via different pathways"

<p>These are the MD simulation data generated for this study. The files are:</p> <p>x11_plain_simulation: training data, charmm22*+tip3p simulation of X11 PD1-PDZ2</p> <p>x11_random_coil: reference random coil data for X11 PDZ1-PDZ2</p> <p>x11_e0.21_0.335_folding_t310: 200 folding simulations</p> <p>x11_e0.21_0.335_melting_t380: 200 unfolding simulations</p> <p>x11d2_e0.21_0.33_folding_t310: 200 folding simulations for the isolated PDZ2</p> <p>x11_e0.21_0.33_folding_t310_d2open: 200 folding simulations for X11 PDZ1-PDZ2 starting with PDZ1 folded and the C-ter tail bound</p>