Barnase-Barstar Binding Pathways

<p>This is a collection of binding trajectories from the atomistic simulation of the Barnase-Barstar system presented&nbsp;in&nbsp;<a href="https://doi.org/10.1039/C8SC04811H">Protein&ndash;protein binding pathways and calculations of rate constants using fully-continuous, explicit-solvent simulations</a>&nbsp;by Saglam and Chong. There is one representative trajectory from each of the five pathways identified.</p> <p>The GRO file here is to be used as&nbsp;a &quot;topology&quot; file, so if your chosen MD viewer or analysis software includes the reference frame from the GRO&nbsp;file, be sure to delete the frame before running your analysis, etc. If you want to analyze just the first frame of a trajectory, load in the GRO/topology file, delete the frame from that file, load in the relevant XTC file and use the first frame from that.</p> <p>Please cite the Saglam and Chong paper if you use these data.</p>