ComABAN: refining molecular representation with the graph attention mechanism to accelerate drug discovery. - Huihui Yan; Yuanyuan Xie; Yao Liu; Leer Yuan; Rong Sheng (Briefings Bioinform., 2022)

DiffDTM: A conditional structure-free framework for bioactive molecules generation targeted for dual proteins. - Lei Huang; Zheng Yuan 002; Huihui Yan; Rong Sheng; Linjing Liu; Fuzhou Wang; Weidun Xie; Nanjun Chen; Fei Huang 002; Songfang Huang; Ka-Chun Wong; Yaoyun Zhang (CoRR, 2023)

Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning? - Shukai Gu; Chao Shen 008; Jiahui Yu; Hong Zhao; Huanxiang Liu; Liwei Liu; Rong Sheng; Lei Xu 035; Zhe Wang 041; Tingjun Hou; Yu Kang 002 (Briefings Bioinform., 2023)

Integrating Prior Chemical Knowledge into the Graph Transformer Network to Predict the Stability Constants of Chelating Agents and Metal Ions. - Geng Chen; Yiyang Qin; Rong Sheng (J. Chem. Inf. Model., 2024)

A Unified Conditional Diffusion Framework for Dual Protein Targets-Based Bioactive Molecule Generation. - Lei Huang; Zheng Yuan 002; Huihui Yan; Rong Sheng; Linjing Liu; Fuzhou Wang; Weidun Xie; Nanjun Chen; Fei Huang 002; Songfang Huang; Ka-Chun Wong; Yaoyun Zhang (IEEE Trans. Artif. Intell., 2024)

Devil in Shadow: Attacking NIR-VIS Heterogeneous Face Recognition via Adversarial Shadow. - Decheng Liu; Rong Sheng; Chunlei Peng; Nannan Wang 001; Ruimin Hu; Xinbo Gao 001 (IEEE Trans. Circuits Syst. Video Technol., 2025)