Qirui Deng

According to our database, Qirui Deng authored at least 6 papers between 2023 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization.

Anjie Qiao, Hao Zhang, Qianmu Yuan, Qirui Deng, Jingtian Su, Weifeng Huang, Huihao Zhou, Guo-Bo Li, Zhen Wang, Jinping Lei

CoRR, May, 2025

A Unified Deep Graph Model for Identifying the Molecular Categories of Ligands Targeting Nuclear Receptors.

Kaimo Yang, Dejun Jiang, Qirui Deng, Sutong Xiang, Jingxuan Ge, Kexin Xu, Zhiliang Jiang, Zihao Wang, Chen Yin, Youqiao Qian, Tingjun Hou, Huiyong Sun

J. Chem. Inf. Model., 2025

A 3D pocket-aware lead optimization model with knowledge guidance and its application for discovery of new glutaminyl cyclase inhibitors.

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

Briefings Bioinform., 2025

2024

Characterizing the Cooperative Effect of PROTAC Systems with End-Point Binding Free Energy Calculation.

Kexin Xu, Zhe Wang, Sutong Xiang, Rongfan Tang, Qirui Deng, Jingxuan Ge, Zhiliang Jiang, Kaimo Yang, Tingjun Hou, Huiyong Sun

J. Chem. Inf. Model., 2024

RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning.

Qirui Deng, Zhe Wang, Sutong Xiang, Qinghua Wang, Yifei Liu, Tingjun Hou, Huiyong Sun

J. Chem. Inf. Model., 2024

2023

Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor <i>via</i> Combined Enhanced Sampling.

Sutong Xiang, Zhe Wang, Rongfan Tang, Lingling Wang, Qinghua Wang, Yang Yu, Qirui Deng, Tingjun Hou, Haiping Hao, Huiyong Sun

J. Chem. Inf. Model., December, 2023