Published May 4, 2025 | Version v1
Dataset Open

Trajectories and Code Accompanying "Covalent adducts formed by the androgen receptor transactivation domain and small molecule drugs remain disordered" J Zhu and P Robustelli, Journal of Chemical Informatics and Modeling, 2025

Creators

  • 1. Dartmouth College

Description

Molecular Dynamics Trajectories and Code Accompanying  "Covalent adducts formed by the androgen receptor transactivation domain and small molecule drugs remain disordered" by Jiaqi Zhu and Paul Robustelli.  Published in the Journal of Chemical Informatics and Modeling, 2025

Files

simulation_files.zip

Files (1.0 GB)

Name Size Download all
md5:1470037ebcd11322f3cc34c788b7346e
144.8 MB Preview Download
md5:09471f240aad60053cc20eb674fb3498
845.7 MB Preview Download
md5:73e91a35f930c96c52b4a9f6b3a979a6
14.6 MB Preview Download

Additional details

Related works

Is published in
Publication: 10.1101/2024.11.12.623257 (DOI)

Funding

National Institute of General Medical Sciences
Characterizing the binding mechanisms of castration-resistant prostate cancer therapeutics to the intrinsically disordered N-terminal domain of the androgen receptor R35GM142750

Dates

Available
2025-04