Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis. - Yalong Cong; Yinghui Feng; Hui Ni; Fengdong Zhi; Yulu Miao; Bohuan Fang; Lujia Zhang; John Z. H. Zhang (J. Chem. Inf. Model., 2021)

"Blade of Polarized Water Molecule" Is the Key to Hydrolase Catalysis Regulation. - Yinghui Feng; Yalong Cong; Yue Zhao; Chuanxi Zhang; Hucheng Song; Bohuan Fang; Furong Yang; Huitu Zhang; John Z. H. Zhang; Lujia Zhang (J. Chem. Inf. Model., 2024)

Learning Neural Unsigned Distance Fields with Cross Product Geometric Prior. - Peilin Qiu; Luyao Chen; Bohuan Fang; Zihan Dai; Jiandong Guo (ICIC (14), 2025)