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)

Efficient 3D conformer generation of cyclic peptides formed by a disulfide bond. - Huanyu Tao; Qilong Wu 001; Xuejun Zhao; Peicong Lin; Sheng-You Huang (J. Cheminformatics, 2022)

Holo Protein Conformation Generation from Apo Structures by Ligand Binding Site Refinement. - Jinze Zhang; Hao Li; Xuejun Zhao; Qilong Wu 001; Sheng-You Huang (J. Chem. Inf. Model., 2022)

HCovDock: an efficient docking method for modeling covalent protein-ligand interactions. - Qilong Wu 001; Sheng-You Huang (Briefings Bioinform., 2023)

XDock: A General Docking Method for Modeling Protein-Ligand and Nucleic Acid-Ligand Interactions. - Qilong Wu 001; Sheng-You Huang (J. Chem. Inf. Model., 2024)

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)