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2020 – today
- 2025
[j5]Anjie Qiao, Yuting Chen, Junjie Xie, Weifeng Huang, Hao Zhang, Qirui Deng, Jiahua Rao, Ji Deng, Fanbo Meng, Zhen Wang, Mingyuan Xu, Hongming Chen, Jiancong Xie, Shuangjia Zheng, Yuedong Yang, Guo-Bo Li, Jinping Lei:
A 3D pocket-aware lead optimization model with knowledge guidance and its application for discovery of new glutaminyl cyclase inhibitors. Briefings Bioinform. 26(4) (2025)- [i3]Jinping Lei, Toru Takisaka, Junqiang Peng, Mingyu Xiao:
Systematic Parameter Decision in Approximate Model Counting. CoRR abs/2504.05874 (2025) - [i2]Anjie Qiao, Junjie Xie, Weifeng Huang, Hao Zhang, Jiahua Rao, Shuangjia Zheng, Yuedong Yang, Zhen Wang, Guo-Bo Li, Jinping Lei:
A 3D pocket-aware and affinity-guided diffusion model for lead optimization. CoRR abs/2504.21065 (2025) - [i1]Anjie Qiao, Hao Zhang, Qianmu Yuan, Qirui Deng, Jingtian Su, Weifeng Huang, Huihao Zhou, Guo-Bo Li, Zhen Wang, Jinping Lei:
A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization. CoRR abs/2505.05874 (2025) - 2024
- [j4]Hao Zhang
, Jinchao Huang, Junjie Xie, Weifeng Huang, Yuedong Yang, Mingyuan Xu, Jinping Lei, Hongming Chen:
GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning. J. Chem. Inf. Model. 64(3): 666-676 (2024) - [j3]Junjie Xie, Sheng Chen, Jinping Lei, Yuedong Yang:
DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model. J. Chem. Inf. Model. 64(7): 2554-2564 (2024) - [j2]Haoyang Liu, Yifei Qin, Zhangming Niu, Mingyuan Xu, Jiaqiang Wu, Xianglu Xiao, Jinping Lei, Ting Ran, Hongming Chen:
How Good are Current Pocket-Based 3D Generative Models?: The Benchmark Set and Evaluation of Protein Pocket-Based 3D Molecular Generative Models. J. Chem. Inf. Model. 64(24): 9260-9275 (2024) - 2022
- [j1]Youhai Tan, Lingxue Dai, Weifeng Huang, Yinfeng Guo, Shuangjia Zheng, Jinping Lei, Hongming Chen, Yuedong Yang:
DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design. J. Chem. Inf. Model. 62(23): 5907-5917 (2022)
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