A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria- MD simulation files

This folder contains the first and last frame of MD simulations conducted in this study. The Free-MD folder contains unconstrained MD simulation files for Dri1 (WT) and its variants (H16A, H21A, H79A, H16A:H21A, H16A:H79A, H21A:H79A and H79A:R90A) The SAXS-dirven MD folder contains SAXS data constrained MD simulation files for Dri1 WT, Dri1 H21A and Dri H79A:R90A with 3 different starting structures for variants.