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AR_ligand_binding

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.

ar_ligand_binding's People

Contributors

paulrobustelli avatar jiaqizhu-git avatar

Stargazers

Michele Invernizzi avatar 戴早 avatar Sutanu Mukhopadhyay avatar  avatar Akshay avatar Yu Xiong avatar Enrico D'Ortenzio avatar HIbrahim avatar

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