TY - RPRT TI - Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design AU - Li, Jie (ORCID:0000000247271786) AU - Zhang, Oufan AU - Sun, Kunyang (ORCID:0000000164721665) AU - Wang, Yingze AU - Guan, Xingyi AU - Bagni, Dorian AU - Haghighatlari, Mojtaba AU - Kearns, Fiona AU - Parks, Conor (ORCID:0000000181585116) AU - Amaro, Rommie (ORCID:0000000292759553) AU - Head-Gordon, Teresa (ORCID:0000000300258987) PY - 2024 DO - 10.1021/acs.jcim.4c00634 UR - https://www.osti.gov/biblio/2581482 ID - 2581482 ER -