D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings. - Zied Gaieb; Conor D. Parks; Michael Chiu; Huanwang Yang; Chenghua Shao; W. Patrick Walters; Millard H. Lambert; Neysa Nevins; Scott D. Bembenek; Michael K. Ameriks; Tara Mirzadegan; Stephen K. Burley; et al. (J. Comput. Aided Mol. Des., 2019)

D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. - Conor D. Parks; Zied Gaieb; Michael Chiu; Huanwang Yang; Chenghua Shao; W. Patrick Walters; Johanna M. Jansen; Georgia B. McGaughey; Richard A. Lewis; Scott D. Bembenek; Michael K. Ameriks; Tara Mirzadegan; et al. (J. Comput. Aided Mol. Des., 2020)

Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design. - Jie Li 072; Oufan Zhang; Kunyang Sun; Yingze Wang; Xingyi Guan; Dorian Bagni; Mojtaba Haghighatlari; Fiona L. Kearns; Conor D. Parks; Rommie E. Amaro; Teresa Head-Gordon (J. Chem. Inf. Model., 2024)