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Experiment and simulation of the interface characteristics during the two-phase invasion between silicone oil and water Journal article
Zheng, Xu, Zhang, Ji, Yu, Shilong, Mei, Ning. Experiment and simulation of the interface characteristics during the two-phase invasion between silicone oil and water[J]. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2024, 692, 133979.
Authors:  Zheng, Xu;  Zhang, Ji;  Yu, Shilong;  Mei, Ning
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:4.9/4.7 | Submit date：2024/05/16
Associated Matter  Interface Characteristics  Molecular Dynamics Simulation  Silicon Oil-water Mixture  
Chloride binding mechanism in seawater-mixed UHPC Journal article
Zhang, Wei, Ding, Dawei, Li, Mengmeng, Wang, Tiao, Ma, Hongyan, Chen, Binmeng, Hu, Hongxing, Chen, Jizhou, Liu, Xiaomin, Hou, Dongshuai. Chloride binding mechanism in seawater-mixed UHPC[J]. Construction and Building Materials, 2024, 427, 136191.
Authors:  Zhang, Wei;  Ding, Dawei;  Li, Mengmeng;  Wang, Tiao;  Ma, Hongyan; et al.
Favorite | TC[WOS]:3 TC[Scopus]:4  IF:7.4/8.0 | Submit date：2024/05/16
Ca/si Ratio  Chloride Binding Mechanism  Friedel's Salt  Molecular Dynamics Simulation  Seawater-mixed Uhpc  
Chlorination-improved adsorption capacity of microplastics for antibiotics: A combined experimental and molecular mechanism investigation Journal article
Peng Hu, Yuanyuan Dou, Bohua Ji, Manhong Miao, Yao Li, Tianwei Hao. Chlorination-improved adsorption capacity of microplastics for antibiotics: A combined experimental and molecular mechanism investigation[J]. Journal of Hazardous Materials, 2024, 467, 133734.
Authors:  Peng Hu;  Yuanyuan Dou;  Bohua Ji;  Manhong Miao;  Yao Li; et al.
Favorite | TC[WOS]:6 TC[Scopus]:7  IF:12.2/11.9 | Submit date：2024/02/18
Microplastics  Antibiotics  Disinfection  Molecular Dynamics Simulation  Density Functional Theory  
Classification of MLH1 Missense VUS Using Protein Structure-Based Deep Learning-Ramachandran Plot-Molecular Dynamics Simulations Method Journal article
Tam, Benjamin, Qin, Zixin, Zhao, Bojin, Sinha, Siddharth, Lei, Chon Lok, Wang, San Ming. Classification of MLH1 Missense VUS Using Protein Structure-Based Deep Learning-Ramachandran Plot-Molecular Dynamics Simulations Method[J]. International Journal of Molecular Sciences, 2024, 25(2), 850.
Authors:  Tam, Benjamin;  Qin, Zixin;  Zhao, Bojin;  Sinha, Siddharth;  Lei, Chon Lok; et al.
Favorite | TC[WOS]:3 TC[Scopus]:3  IF:4.9/5.6 | Submit date：2024/02/22
Autoencoder  Deep Learning  Mlh1  Molecular Dynamics Simulation  Neural Network  Ramachandran Plot  Vus  
Computer-driven formulation development of Ginsenoside Rh2 ternary solid dispersion Journal article
Lu, Tianshu, Wu, Tongchuan, Zhong, Hao, Li, Xue, Zhang, Yunsen, Yue, Hao, Dai, Yulin, Li, Haifeng, Ouyang, Defang. Computer-driven formulation development of Ginsenoside Rh2 ternary solid dispersion[J]. Drug Delivery and Translational Research, 2024.
Authors:  Lu, Tianshu;  Wu, Tongchuan;  Zhong, Hao;  Li, Xue;  Zhang, Yunsen; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:5.7/5.5 | Submit date：2024/07/04
(20s)-ginsenoside Rh2  Dissolution Rate  Gelucire 44/14  Molecular Dynamics Simulation  Ternary Solid Dispersion  
Enhanced electrochemical treatment of humic acids and metal ions in leachate concentrate: Experimental and molecular mechanism investigations Journal article
Peng Hu, Huankai Li, Yunkai Tan, Adeyemi S. Adeleye, Tianwei Hao. Enhanced electrochemical treatment of humic acids and metal ions in leachate concentrate: Experimental and molecular mechanism investigations[J]. Journal of Hazardous Materials, 2024, 462, 132774.
Authors:  Peng Hu;  Huankai Li;  Yunkai Tan;  Adeyemi S. Adeleye;  Tianwei Hao
Favorite | TC[WOS]:2 TC[Scopus]:2  IF:12.2/11.9 | Submit date：2023/10/25
Electrochemical Process  Humic Acids  Leachate Concentrate  Molecular Dynamics Simulation  
From micro to macro: The role of seawater in maintaining structural integrity and bioactivity of granules in treating antibiotic-laden mariculture wastewater Journal article
Guangsheng Qian, Jingyi Shao, Peng Hu, Wentao Tang, Yihang Xiao, Tianwei Hao. From micro to macro: The role of seawater in maintaining structural integrity and bioactivity of granules in treating antibiotic-laden mariculture wastewater[J]. Water Research, 2023, 246, 120702.
Authors:  Guangsheng Qian;  Jingyi Shao;  Peng Hu;  Wentao Tang;  Yihang Xiao; et al.
Favorite | TC[WOS]:2 TC[Scopus]:2  IF:11.4/12.2 | Submit date：2023/10/25
Mariculture  Seawater  Granular Sludge  Sulfadiazine  Molecular Dynamics Simulation  
Machine learning in accelerating microsphere formulation development Journal article
Deng, Jiayin, Ye, Zhuyifan, Zheng, Wenwen, Chen, Jian, Gao, Haoshi, Wu, Zheng, Chan, Ging, Wang, Yongjun, Cao, Dongsheng, Wang, Yanqing, Lee, Simon Ming Yuen, Ouyang, Defang. Machine learning in accelerating microsphere formulation development[J]. Drug Delivery and Translational Research, 2023, 13(4), 966-982.
Authors:  Deng, Jiayin;  Ye, Zhuyifan;  Zheng, Wenwen;  Chen, Jian;  Gao, Haoshi; et al.
Favorite | TC[WOS]:6 TC[Scopus]:8  IF:5.7/5.5 | Submit date：2023/01/30
Drug Release  Machine Learning  Microspheres  Molecular Dynamics Simulation  
Investigating the Dynamic Binding Behavior of PMX53 Cooperating with Allosteric Antagonist NDT9513727 to C5a Anaphylatoxin Chemotactic Receptor 1 through Gaussian Accelerated Molecular Dynamics and Free-Energy Perturbation Simulations Journal article
Xiaoli, An, Yuzhen, Niu, Qiong, Yang, Yang, Lei, Yao, Xiaojun, Bing, Zhitong. Investigating the Dynamic Binding Behavior of PMX53 Cooperating with Allosteric Antagonist NDT9513727 to C5a Anaphylatoxin Chemotactic Receptor 1 through Gaussian Accelerated Molecular Dynamics and Free-Energy Perturbation Simulations[J]. ACS Chemical Neuroscience, 2022, 13(23), 3502-3511.
Authors:  Xiaoli, An;  Yuzhen, Niu;  Qiong, Yang;  Yang, Lei;  Yao, Xiaojun; et al.
Favorite | TC[WOS]:4 TC[Scopus]:4  IF:4.1/4.3 | Submit date：2023/01/30
C5ar1  Free-energy Perturbation (Fep)  Gaussian Accelerated Molecular Dynamics (Gamd) Simulation  Ndt9513727  Pmx53  
Molecular Dynamics Simulation of Drug Solubilization Behavior in Surfactant and Cosolvent Injections Journal article
He, Meiqi, Zheng, Wenwen, Wang, Nannan, Gao, Hanlu, Ouyang, Defang, Huang, Zunnan. Molecular Dynamics Simulation of Drug Solubilization Behavior in Surfactant and Cosolvent Injections[J]. Pharmaceutics, 2022, 14(11), 2366.
Authors:  He, Meiqi;  Zheng, Wenwen;  Wang, Nannan;  Gao, Hanlu;  Ouyang, Defang; et al.
Favorite | TC[WOS]:11 TC[Scopus]:15  IF:4.9/5.5 | Submit date：2022/12/01
Cosolvent  Molecular Dynamics Simulation  Solubilization  Surfactant  Water-insoluble Drug