Spatiotemporal multiscale molecular cavity visualization and visual analysis. - Dongliang Guo 001; Dongxue Han; Ximing Xu 001; Kang Ye; Junlan Nie (J. Vis., 2020)

FraHMT: A Fragment-Oriented Heterogeneous Graph Molecular Generation Model for Target Proteins. - Shuang Wang; Dingming Liang; Jianmin Wang 016; Kaiyu Dong; Yunjing Zhang; Huicong Liang; Ximing Xu 001; Tao Song 001 (J. Chem. Inf. Model., 2024)

Increase Docking Score Screening Power by Simple Fusion With CNNscore. - Huicong Liang; Aowei Xie; Ning Hou; Fengjiao Wei; Ting Gao; Jiajie Li; Xinru Gao; Chuanqin Shi; Gaokeng Xiao; Ximing Xu 001 (J. Comput. Chem., 2025)

PocketSCP: A Method for Spatiotemporal Topological Visualization and Analysis of Protein Pocket Dynamics. - Dongliang Guo 001; Hanqing Zhao; Jiabin Huang 008; Jiawei Zhao; Ximing Xu 001; Yapeng Liu 001; Ying Yang (J. Chem. Inf. Model., 2025)

Expanding Balloons: Robust Computational Method for Determining Supramolecular Cage Cavity Morphology Based on the "Inflating Balloon" Metaphor. - Yapeng Liu 001; Dongliang Guo 001; Hongyi Yao; Liang Zhou 001; Ximing Xu 001 (J. Chem. Inf. Model., 2025)