NLDock: a Fast Nucleic Acid-Ligand Docking Algorithm for Modeling RNA/DNA-Ligand Complexes. - Yuyu Feng 002; Keqiong Zhang; Qilong Wu 001; Sheng-You Huang (J. Chem. Inf. Model., 2021)

Docking cyclic peptides formed by a disulfide bond through a hierarchical strategy. - Huanyu Tao; Xuejun Zhao; Keqiong Zhang; Peicong Lin; Sheng-You Huang (Bioinform., 2022)

Improved Prediction of Drug-Protein Interactions through Physics-Based Few-Shot Learning. - Keqiong Zhang; Zhiran Fan; Qilong Wu 001; Jianfeng Liu; Sheng-You Huang (J. Chem. Inf. Model., 2025)