SARS-CoV-2 main protease non-covalent inhibitor dataset

doi:doi:10.57702/axx7rptu

SARS-CoV-2 main protease non-covalent inhibitor dataset

The SARS-CoV-2 main protease non-covalent inhibitor dataset.

BibTex:

@dataset{Austin_Clyde_and_Stephanie_Galanie_and_Daniel_W_Kneller_and_Heng_Ma_and_Yadu_Babuji_and_Ben_Blaiszik_and_Alexander_Brace_and_Thomas_Brettin_and_Kyle_Chard_and_Ryan_Chard_and_Leighton_Coates_and_Ian_Foster_and_Darin_Hauner_and_Vilmos_Kertesz_and_Neeraj_Kumar_and_Hyungro_Lee_and_Zhuozhao_Li_and_Andre_Merzky_and_Jurgen_G_Schmidt_and_Li_Tan_and_Mikhail_Titov_and_Andrea_Trifan_and_Matteo_Turilli_and_Hubertus_Van_Dam_and_Srinivas_C_Chennubhotla_and_Arvind_Ramanathan_and_Marti_Head_and_Rick_Stevens_2024,
    abstract = {The SARS-CoV-2 main protease non-covalent inhibitor dataset.},
    author = {Austin Clyde and Stephanie Galanie and Daniel W Kneller and Heng Ma and Yadu Babuji and Ben Blaiszik and Alexander Brace and Thomas Brettin and Kyle Chard and Ryan Chard and Leighton Coates and Ian Foster and Darin Hauner and Vilmos Kertesz and Neeraj Kumar and Hyungro Lee and Zhuozhao Li and Andre Merzky and Jurgen G Schmidt and Li Tan and Mikhail Titov and Andrea Trifan and Matteo Turilli and Hubertus Van Dam and Srinivas C Chennubhotla and Arvind Ramanathan and Marti Head and Rick Stevens},
    doi = {10.57702/axx7rptu},
    institution = {No Organization},
    keyword = {'SARS-CoV-2', 'main protease', 'protein-ligand binding'},
    month = {dec},
    publisher = {TIB},
    title = {SARS-CoV-2 main protease non-covalent inhibitor dataset},
    url = {https://service.tib.eu/ldmservice/dataset/sars-cov-2-main-protease-non-covalent-inhibitor-dataset},
    year = {2024}
}