Revealing the Reovirus T1L-NgR1 binding interface using single-molecule approaches

<p>Initial topology, parameter and coordinate files of the molecular dynamics (MD) simulation of <em>human and mouse NgR1 in complex with two &sigma;3 subunits</em>. We used AMBER for the equilibration phase and GROMACS (2022.3) for the production as molecular engines (input_gromacs.mdp). For each system we run three independent replicas of 2.5 &micro;s. Water molecules and ion atoms were removed from the original trajectories and topology prior to upload. All replicas were previously aligned to chain A (NgR1):</p> <ul> <li>system 1: human NgR1 in complex with two&nbsp;&sigma;3 subunits</li> <li>system 2: murine NgR1 in complex with two &sigma;3 subunits</li> </ul>