MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network. - Xiaolin Pan; Hao Wang; Cuiyu Li; John Z. H. Zhang; Changge Ji (J. Chem. Inf. Model., 2021)

AA-Score: a New Scoring Function Based on Amino Acid-Specific Interaction for Molecular Docking. - Xiaolin Pan; Hao Wang; Yueqing Zhang; Xingyu Wang; Cuiyu Li; Changge Ji; John Z. H. Zhang (J. Chem. Inf. Model., 2022)

Temporal Coherence-Based Distributed Ray Tracing of Massive Scenes. - Xiang Xu; Lu Wang 007; Arsène Pérard-Gayot; Richard Membarth; Cuiyu Li; Chenglei Yang; Philipp Slusallek (IEEE Trans. Vis. Comput. Graph., 2024)

Comprehensive Evaluation of End-Point Free Energy Methods in DNA-Ligand Interaction Predictions. - Cuiyu Li; Hongyan Du; Chengwei Zhang; Wanying Huang; Xujun Zhang; Tianyue Wang; Dejun Jiang 002; Tingjun Hou; Ercheng Wang (J. Chem. Inf. Model., 2025)