Raw data to: Molecular Interplay of ADAMTS13-MDTCS and von Willebrand Factor-A2: Deepened Insights from Extensive Atomistic Simulations

<p>Structural ensembles of ADAMTS13-MDTCS in isolation and in interaction with the von Willebrand factor A2 domain, as obtained from extensive TIGER2h&nbsp;replica exchange simulations. Scripts to filter for certain binding states by given contacts, extract conformational clusters, a movie illustrating the binding transition between recruitment (Model2) and proteolytic (Model1) states,&nbsp;PDB files of both models for further investigation along with upcoming experimental verification.</p>