Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space. - James M. Stevenson; Leif D. Jacobson; Yutong Zhao; Chuanjie Wu; Jon Maple; Karl Leswing; Edward Harder; Robert Abel (CoRR, 2019)

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. - Haoyu S. Yu; Cen Gao; Dmitry Lupyan; Yujie Wu; Takayuki Kimura; Chuanjie Wu; Leif D. Jacobson; Edward Harder; Robert Abel; Lingle Wang (J. Chem. Inf. Model., 2019)

Pattern-free generation and quantum mechanical scoring of ring-chain tautomers. - Daniel S. Levine 003; Mark A. Watson; Leif D. Jacobson; Claire E. Dickerson; Haoyu S. Yu; Art D. Bochevarov (J. Comput. Aided Mol. Des., 2021)