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2020 – today
- 2021
[j2]Daniel S. Levine
, Mark A. Watson, Leif D. Jacobson, Claire E. Dickerson, Haoyu S. Yu, Art D. Bochevarov:
Pattern-free generation and quantum mechanical scoring of ring-chain tautomers. J. Comput. Aided Mol. Des. 35(4): 417-431 (2021)
2010 – 2019
- 2019
- [j1]Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang:
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. J. Chem. Inf. Model. 59(9): 3955-3967 (2019) - [i1]James M. Stevenson, Leif D. Jacobson, Yutong Zhao, Chuanjie Wu, Jon Maple, Karl Leswing, Edward Harder, Robert Abel:
Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space. CoRR abs/1912.05079 (2019)
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