PhotoDock: Docking scores and poses of photoactive drugs

Axelrod, Simon; Shakhnovich, Eugene; Gomez-Bombarelli, Rafael

Organizations

MDF Open

Year

2023

Source Name

axelrod_photodock_docking_drugs

Contacts

Simon Axelrod (simonaxelrod83@gmail.com) Eugene Shakhnovich (shakhnovich@chemistry.harvard.edu) Rafael Gomez-Bombarelli (rafagb@mit.edu)

DOI

10.18126/41tz-igf4 View on Datacite

Get the Data

Here you can find the docking data from our paper, "Mapping the space of photoswitchable ligands and photodruggable proteins with computational modeling" (https://arxiv.org/abs/2302.11490). If you use this data, please cite our paper.