This repository contains simulation files for the αIIbβ3-abxicimab complex.
Simulations described in the manuscript were generated from the initial coordinates in the `Initial coordinates and topology` folder. The setup for the αIIbβ3-abxicimab complex and the control simulations for the unbound αIIbβ3 integring are contained in the `complex` and `integrin` folders, respectively.
The corresponding generated trajectories for proteins are available in the `Trajectories` folder. Water molecules were removed, and frames were saved with a frequency of 0.01 ns.