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)

Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constant. - Xiao Liu; Lei Zheng; Yalong Cong; Zhihao Gong; Zhixiang Yin; John Z. H. Zhang; Zhirong Liu; Zhaoxi Sun (J. Comput. Aided Mol. Des., 2022)

Combined Antibodies Evusheld against the SARS-CoV-2 Omicron Variants BA.1.1 and BA.5: Immune Escape Mechanism from Molecular Simulation. - Jianwen Zhang; Yalong Cong; Lili Duan; John Z. H. Zhang (J. Chem. Inf. Model., 2023)

"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)