Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring. - Kai Zhu; Kenneth W. Borrelli; Jeremy R. Greenwood; Tyler Day; Robert Abel; Ramy Farid; Edward Harder (J. Chem. Inf. Model., 2014)

Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator. - Fang-Yu Lin; Pedro E. M. Lopes; Edward Harder; Benoît Roux; Alexander D. MacKerell Jr. (J. Chem. Inf. Model., 2018)

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)

Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands. - Ara M. Abramyan; Anna Bochicchio; Chuanjie Wu; Wolfgang Damm; David R. Langley; Devleena Shivakumar; Dmitry Lupyan; Lingle Wang; Edward Harder; Eliud O. Oloo (J. Chem. Inf. Model., 2025)