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Interfacial “Double-Terminal Binding Sites” Catalysts Synergistically Boosting the Electrocatalytic Li2S Redox for Durable Lithium-Sulfur Batteries Journal article
Xu, Huifang, Jiang, Qingbin, Hui, Kwan San, Wang, Shuo, Liu, Lingwen, Chen, Tianyu, Zheng, Yunshan, Ip, Weng Fai, Dinh, Duc Anh, Zha, Chenyang, Lin, Zhan, Hui, Kwun Nam. Interfacial “Double-Terminal Binding Sites” Catalysts Synergistically Boosting the Electrocatalytic Li2S Redox for Durable Lithium-Sulfur Batteries[J]. ACS Nano, 2024, 18(12), 8839-8852.
Authors:  Xu, Huifang;  Jiang, Qingbin;  Hui, Kwan San;  Wang, Shuo;  Liu, Lingwen; et al.
Favorite | TC[WOS]:9 TC[Scopus]:9  IF:15.8/16.2 | Submit date：2024/05/16
Binding Energy  Double-terminal Binding Sites  Energy Barriers  Separator Architecture  Superb Electrocatalysis  
The Formation Mechanism of (001) Facet Dominated α-FAPbI3 Film by Pseudohalide Ions for High-Performance Perovskite Solar Cells Journal article
Li, Shengwen, Xia, Junmin, Wen, Zhaorui, Gu, Hao, Guo, Jia, Liang, Chao, Pan, Hui, Wang, Xingzhu, Chen, Shi. The Formation Mechanism of (001) Facet Dominated α-FAPbI3 Film by Pseudohalide Ions for High-Performance Perovskite Solar Cells[J]. Advanced Science, 2023, 10(18), 2300056.
Authors:  Li, Shengwen;  Xia, Junmin;  Wen, Zhaorui;  Gu, Hao;  Guo, Jia; et al.
Favorite | TC[WOS]:0 TC[Scopus]:20  IF:14.3/16.3 | Submit date：2023/07/20
(001) Facet  Binding Energy  Dft Calculation  Perovskite Solar Cell  Pseudohalide Anions  
Weak-Coordination Electrolyte Enabling Fast Li+ Transport in Lithium Metal Batteries at Ultra-Low Temperature Journal article
Lin, Wang, Li, Jidao, Wang, Jingshu, Gu, Kecheng, Li, Heng, Xu, Zhu, Wang, Kexuan, Wang, Feng, Zhu, Mengyu, Fan, You, Wang, Huibo, Tao, Guangjian, Liu, Na, Ding, Maofeng, Chen, Shi, Wu, Jiang, Tang, Yuxin. Weak-Coordination Electrolyte Enabling Fast Li+ Transport in Lithium Metal Batteries at Ultra-Low Temperature[J]. Small, 2023, 19(23), 2207093.
Authors:  Lin, Wang;  Li, Jidao;  Wang, Jingshu;  Gu, Kecheng;  Li, Heng; et al.
Favorite | TC[WOS]:19 TC[Scopus]:16  IF:13.0/13.5 | Submit date：2023/07/19
Binding Energy  Carboxylic Ester  Electrolytes  Lithium Metal Batteries  Low Temperature  Solvation Structures  
The prediction of protein–ligand unbinding for modern drug discovery Journal article
Zhang, Qianqian, Zhao, Nannan, Meng, Xiaoxiao, Yu, Fansen, Yao, Xiaojun, Liu, Huanxiang. The prediction of protein–ligand unbinding for modern drug discovery[J]. Expert Opinion on Drug Discovery, 2021, 17(2), 191-205.
Authors:  Zhang, Qianqian;  Zhao, Nannan;  Meng, Xiaoxiao;  Yu, Fansen;  Yao, Xiaojun; et al.
Favorite | TC[WOS]:11 TC[Scopus]:13  IF:6.0/6.6 | Submit date：2023/01/30
Binding Free Energy  Dissociation Rate Constant  Enhanced Sampling Methods  Machine Learning  Molecular Dynamic Simulation  Protein–ligand Unbinding  Residence Time  Unbinding Pathways  
Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques Journal article
Zhao,Qianqian, Ye,Zhuyifan, Su,Yan, Ouyang,Defang. Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques[J]. Acta Pharmaceutica Sinica B, 2019, 9(6), 1241-1252.
Authors:  Zhao,Qianqian;  Ye,Zhuyifan;  Su,Yan;  Ouyang,Defang
Favorite | TC[WOS]:60 TC[Scopus]:66  IF:14.7/14.1 | Submit date：2021/03/02
Binding Free Energy  Cyclodextrin  Deep Learning  Ketoprofen  Lightgbm  Machine Learning  Molecular Modeling  Random Forest