qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs.

Xudong Xiao

Weiyu Zhou Dongliang Ke Zhihan Zhang Chengshan Jin Yi Wu Xiaolin Pan Xingyu Wang Xudong Xiao Kun Zhang Changge Ji qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs. 7-15 2026 66 J. Chem. Inf. Model. 1 https://doi.org/10.1021/acs.jcim.5c02195 db/journals/jcisd/jcisd66.html#ZhouKZJWPWXZJ26 streams/journals/jcisd

Dongliang Ke Weiyu Zhou Zhihan Zhang Chengshan Jin Yi Wu Xiaolin Pan Xingyu Wang Xudong Xiao Changge Ji SiteMatcher: A Web Server for Structure-Based Drug Design Using Protein-Ligand Interaction Patterns. 13028-13036 2025 65 J. Chem. Inf. Model. 24 https://doi.org/10.1021/acs.jcim.5c02173 db/journals/jcisd/jcisd65.html#KeZZJWPWXJ25 streams/journals/jcisd

Yichen Lu Wei Dai Jiaen Liu Ching Wing Kwok Zongheng Wu Xudong Xiao Ao Sun Sheng Fu Jianyuan Zhan Yian Wang Takatomo Saito Sicheng Lai ViDove: A Translation Agent System with Multimodal Context and Memory-Augmented Reasoning. 228-243 2025 EMNLP (System Demonstrations) https://doi.org/10.18653/v1/2025.emnlp-demos.17 conf/emnlp/2025d db/conf/emnlp/emnlp2025d.html#LuDLKWXSFZWSL25

Yichen Lu Wei Dai Jiaen Liu Ching Wing Kwok Zongheng Wu Xudong Xiao Ao Sun Sheng Fu Jianyuan Zhan Yian Wang Takatomo Saito Sicheng Lai ViDove: A Translation Agent System with Multimodal Context and Memory-Augmented Reasoning. 2025 July abs/2507.07306 CoRR https://doi.org/10.48550/arXiv.2507.07306 db/journals/corr/corr2507.html#abs-2507-07306 streams/journals/corr

Yueqing Zhang Zhihan Zhang Dongliang Ke Xiaolin Pan Xingyu Wang Xudong Xiao Changge Ji FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints. 3970-3976 2024 64 J. Chem. Inf. Model. 10 https://doi.org/10.1021/acs.jcim.4c00154 db/journals/jcisd/jcisd64.html#ZhangZKPWXJ24

Zhihan Zhang Dongliang Ke Chengshan Jin Weiyu Zhou Xiaolin Pan Yueqing Zhang Xingyu Wang Xudong Xiao Changge Ji MacGen: A Web Server for Structure-Based Macrocycle Design. 9048-9055 2024 64 J. Chem. Inf. Model. 24 https://doi.org/10.1021/acs.jcim.4c01576 db/journals/jcisd/jcisd64.html#ZhangKJZPZWXJ24 streams/journals/jcisd

Xiaolin Pan Fanyu Zhao Yueqing Zhang Xingyu Wang Xudong Xiao John Z. H. Zhang Changge Ji MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution. 1833-1840 2023 April 63 J. Chem. Inf. Model. 7 https://doi.org/10.1021/acs.jcim.2c01393 db/journals/jcisd/jcisd63.html#PanZZWXZJ23

Hao Wang Xiaolin Pan Yueqing Zhang Xingyu Wang Xudong Xiao Changge Ji MolHyb: A Web Server for Structure-Based Drug Design by Molecular Hybridization. 2916-2922 2022 62 J. Chem. Inf. Model. 12 https://doi.org/10.1021/acs.jcim.2c00443 https://www.wikidata.org/entity/Q113439172 db/journals/jcisd/jcisd62.html#WangPZWXJ22

Jinwen Shan Xiaolin Pan Xingyu Wang Xudong Xiao Changge Ji FragRep: A Web Server for Structure-Based Drug Design by Fragment Replacement. 5900-5906 2020 60 J. Chem. Inf. Model. 12 https://doi.org/10.1021/acs.jcim.0c00767 https://www.wikidata.org/entity/Q104068824 db/journals/jcisd/jcisd60.html#ShanPWXJ20

Wei Dai Sheng Fu Changge Ji Chengshan Jin Dongliang Ke Ching Wing Kwok Sicheng Lai Jiaen Liu Yichen Lu Xiaolin Pan Takatomo Saito Jinwen Shan Ao Sun Hao Wang Xingyu Wang Yian Wang Yi Wu Zongheng Wu Jianyuan Zhan John Z. H. Zhang Kun Zhang Yueqing Zhang Zhihan Zhang Fanyu Zhao Weiyu Zhou