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Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c00166
Abstract: Virtual screening using molecular docking is now routinely used for the rapid evaluation of very large ligand libraries in early stage drug discovery. As the size of compound libraries which can feasibly be screened grows,…
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Keywords:
management storage;
virtual screening;
storage;
python tool ... See more keywords