Code Accompanying "Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States" by Jiaqi Zhu, Xavier Salvatella, and Paul Robustelli
Trajectories For This Manuscript Can Be Downloaded Here:
https://www.dropbox.com/s/yyv6n5bkvmoq01x/Trajectory_Files_9.27.22.zip?dl=0
Trajectories, Gromacs Input Files, and All analysis code can be Downloaded here:
https://doi.org/10.5281/zenodo.7120845
After downloading the trajectories, put the trajectories folder into the directory as the notebooks and run.