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DOE OSTI · 2581482

Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design

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Li, Jie (ORCID:0000000247271786), Zhang, Oufan, Sun, Kunyang (ORCID:0000000164721665), Wang, Yingze, Guan, Xingyi, Bagni, Dorian, Haghighatlari, Mojtaba, Kearns, Fiona, Parks, Conor (ORCID:0000000181585116), Amaro, Rommie (ORCID:0000000292759553), Head-Gordon, Teresa (ORCID:0000000300258987). 2024-06-06. Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design. https://doi.org/10.1021/acs.jcim.4c00634

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