Adopting Autodock Koto for Virtual Screening of COVID-19. - Zhangfan Yang; Kun Cao; Junkai Ji; Zexuan Zhu; Jianqiang Li 001 (ICIC (3), 2023)

A novel molecular docking program based on a multi-swarm competitive algorithm. - Jin Zhou; Zhangfan Yang; Ying He 006; Junkai Ji; Qiuzhen Lin; Jianqiang Li 001 (Swarm Evol. Comput., 2023)

AutoDock Koto: A Gradient Boosting Differential Evolution for Molecular Docking. - Junkai Ji; Jin Zhou; Zhangfan Yang; Qiuzhen Lin; Carlos A. Coello Coello (IEEE Trans. Evol. Comput., 2023)

Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening. - Zhangfan Yang; Junkai Ji; Shan He 001; Jianqiang Li 001; Tiantian He 001; Ruibin Bai; Zexuan Zhu; Yew Soon Ong (CoRR, 2024)

Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned Diffusion. - Dong Xu 023; Zhangfan Yang; Ka-Chun Wong; Zexuan Zhu; Jian-Qiang Li 001; Junkai Ji (CoRR, 2025)

MODA: A Unified 3D Diffusion Framework for Multi-Task Target-Aware Molecular Generation. - Dong Xu 023; Zhangfan Yang; Sisi Yuan; Jenna Xinyi Yao; Jiangqiang Li; Junkai Ji (CoRR, 2025)

IBEX: Information-Bottleneck-EXplored Coarse-to-Fine Molecular Generation under Limited Data. - Dong Xu 023; Zhangfan Yang; Jenna Xinyi Yao; Shuangbao Song; Zexuan Zhu; Junkai Ji (CoRR, 2025)