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Understanding the self-assembly and molecular structure of mRNA lipid nanoparticles at real size: Insights from the ultra-large-scale simulation Journal article
Wang, Ruifeng, Zhang, Yunsen, Zhong, Hao, Zang, Jieying, Wang, Wei, Cheng, He, Chen, Yongming, Ouyang, Defang. Understanding the self-assembly and molecular structure of mRNA lipid nanoparticles at real size: Insights from the ultra-large-scale simulation[J]. International Journal of Pharmaceutics, 2025, 670, 125114.
Authors:  Wang, Ruifeng;  Zhang, Yunsen;  Zhong, Hao;  Zang, Jieying;  Wang, Wei; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:5.3/5.6 | Submit date：2025/01/22
Coarse Graining  Lipid Nanoparticle  Molecular Dynamic Simulation  Mrna  Real Size  Self-assembly  
Research on the durability of composite epoxy resin modified repair mortars based on water-oil gradient phase change: From macroscopic to nanoscopic scales Journal article
Zheng, Heping, Duan, Yuying, Pang, Bo, Wang, Meng, Wang, Pan, Hou, Dongshuai. Research on the durability of composite epoxy resin modified repair mortars based on water-oil gradient phase change: From macroscopic to nanoscopic scales[J]. Construction and Building Materials, 2024, 457, 139325.
Authors:  Zheng, Heping;  Duan, Yuying;  Pang, Bo;  Wang, Meng;  Wang, Pan; et al.
Favorite | TC[WOS]:1 TC[Scopus]:0  IF:7.4/8.0 | Submit date：2024/12/26
Epoxy Resin  Repair Mortar  Durability  Ipn Structure  Microstructure  Molecular Dynamic Simulation  
Discovery and analysis of a novel antimicrobial peptide B1AW from the skin secretion of Amolops wuyiensis and improving the membrane-binding affinity through the construction of the lysine-introduced analogue Journal article
Qin,Haixin, Zuo,Weimin, Ge,Lilin, Siu,Shirley W.I., Wang,Lei, Chen,Xiaoling, Ma,Chengbang, Chen,Tianbao, Zhou,Mei, Cao,Zhijian, Kwok,Hang Fai. Discovery and analysis of a novel antimicrobial peptide B1AW from the skin secretion of Amolops wuyiensis and improving the membrane-binding affinity through the construction of the lysine-introduced analogue[J]. Computational and Structural Biotechnology Journal, 2023, 21, 2960-2972.
Authors:  Qin,Haixin;  Zuo,Weimin;  Ge,Lilin;  Siu,Shirley W.I.;  Wang,Lei; et al.
Favorite | TC[WOS]:6 TC[Scopus]:6  IF:4.4/5.0 | Submit date：2023/08/03
Anticancer Peptide  Antimicrobial Peptide  Brevinin Peptide  Molecular Dynamic Simulation  Peptide Modification  
Development of in silico methodology for siRNA lipid nanoparticle formulations Journal article
Gao, Haoshi, Kan, Stanislav, Ye, Zhuyifan, Feng, Yuchen, Jin, Lei, Zhang, Xudong, Deng, Jiayin, Chan, Ging, Hu, Yuanjia, Wang, Yongjun, Cao, Dongsheng, Ji, Yuanhui, Liang, Mingtao, Li, Haifeng, Ouyang, Defang. Development of in silico methodology for siRNA lipid nanoparticle formulations[J]. Chemical Engineering Journal, 2022, 442, 136310.
Authors:  Gao, Haoshi;  Kan, Stanislav;  Ye, Zhuyifan;  Feng, Yuchen;  Jin, Lei; et al.
Favorite | TC[WOS]:19 TC[Scopus]:21  IF:13.3/13.2 | Submit date：2022/05/13
Cationic Lipids  Knockdown Efficiency  Lipid Nanoparticle  Machine Learning  Molecular Dynamic Simulation  Sirna  
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  
Integrated in silico formulation design of self-emulsifying drug delivery systems Journal article
Gao, Haoshi, Jia, Haoyue, Dong, Jie, Yang, Xinggang, Li, Haifeng, Ouyang, Defang. Integrated in silico formulation design of self-emulsifying drug delivery systems[J]. Acta Pharmaceutica Sinica B, 2021, 11(11), 3585-3594.
Authors:  Gao, Haoshi;  Jia, Haoyue;  Dong, Jie;  Yang, Xinggang;  Li, Haifeng; et al.
Favorite | TC[WOS]:29 TC[Scopus]:39  IF:14.7/14.1 | Submit date：2021/10/02
Central Composite Design  Meloxicam  Molecular Dynamic Simulation  Random Forest  Self-emulsifying Drug Delivery System  
Integrated in Silico Formulation Design of Lipid-based Drug Delivery Systems Journal article
Gao, Haoshi, Jia, Haoyue, Dong, Jie, Yang, Xinggang, Li, Haifeng, Ouyang, Defang. Integrated in Silico Formulation Design of Lipid-based Drug Delivery Systems[J]. Acta Pharmaceutica Sinica B, 2021, 11(11), 3585-3594.
Authors:  Gao, Haoshi;  Jia, Haoyue;  Dong, Jie;  Yang, Xinggang;  Li, Haifeng; et al.
Adobe PDF | Favorite | TC[WOS]:29 TC[Scopus]:39  IF:14.7/14.1 | Submit date：2022/08/15
Central Composite Design  Meloxicam  Molecular Dynamic Simulation  Random Forest  Self-emulsifying Drug Delivery System  
Integrated computer-aided formulation design: A case study of andrographolide/ cyclodextrin ternary formulation Journal article
Gao, Haoshi, Su, Yan, Wang, Wei, Xiong, Wei, Sun, Xiyang, Ji, Yuanhui, Yu, Hua, Li, Haifeng, Ouyang, Defang. Integrated computer-aided formulation design: A case study of andrographolide/ cyclodextrin ternary formulation[J]. Asian Journal of Pharmaceutical Sciences, 2021, 16(4), 494-507.
Authors:  Gao, Haoshi;  Su, Yan;  Wang, Wei;  Xiong, Wei;  Sun, Xiyang; et al.
Favorite | TC[WOS]:11 TC[Scopus]:17  IF:10.7/9.0 | Submit date：2021/10/02
Andrographolide  Cyclodextrins  Integrated Computer-aided Formulation Design  Machine Learning  Molecular Dynamic Simulation  Physiologically Based Absorption Modeling  
Combining Ramachandran plot and molecular dynamics simulation for structural-based variant classification: Using TP53 variants as model Journal article
Tam,Benjamin, Sinha,Siddharth, Wang,San Ming. Combining Ramachandran plot and molecular dynamics simulation for structural-based variant classification: Using TP53 variants as model[J]. Computational and Structural Biotechnology Journal, 2020, 18, 4033-4039.
Authors:  Tam,Benjamin;  Sinha,Siddharth;  Wang,San Ming
Favorite | TC[WOS]:34 TC[Scopus]:38 | Submit date：2021/03/02
Molecular Dynamic Simulation  Pathogenic  Protein Structure  Ramachandran Plot  Tp53  Variant Of Uncertain Significance  
Combining Ramachandran Plot and Molecular Dynamics Simulation for structural-based variant classification: using TP53 variants as model Journal article
Tam,Benjamin, Sinha,Siddharth, Wang,San Ming. Combining Ramachandran Plot and Molecular Dynamics Simulation for structural-based variant classification: using TP53 variants as model[J]. Computational and Structural Biotechnology Journal, 2020, 18, 4033-4039.
Authors:  Tam,Benjamin;  Sinha,Siddharth;  Wang,San Ming
Favorite | TC[WOS]:34 TC[Scopus]:38 | Submit date：2022/07/27
Molecular Dynamic Simulation  Pathogenic  Protein Structure  Ramachandran Plot  Tp53  Variant Of Uncertain Significance