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PhotoDock: Docking scores and poses of photoactive drugs
https://doi.org/10.18126/41tz-igf4
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Here you can find the docking data from our paper, "Virtual screening of photoactive drugs using computational docking and machine-learned chemical property prediction". If you use this data, please cite our work.
Simon Axelrod
Eugene Shakhnovich
Rafael Gomez-Bombarelli
Simon Axelrod (simonaxelrod83@gmail.com)
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Eugene Shakhnovich (shakhnovich@chemistry.harvard.edu)
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Rafael Gomez-Bombarelli (rafagb@mit.edu)
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DOI registered
January 10, 2023
via DataCite
Dataset published 2023 in
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