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Comprehensive classification of TP53 somatic missense variants based on their impact on p53 structural stability Journal article
Benjamin Tam, Philip Naderev P. Lagniton, Mariano da Luz, Bojin Zhao, Siddharth Sinha, Chon Lok Lei, San Ming Wang. Comprehensive classification of TP53 somatic missense variants based on their impact on p53 structural stability[J]. Briefings in Bioinformatics, 2024, 25(5), bbae400.
Authors:  Benjamin Tam;  Philip Naderev P. Lagniton;  Mariano da Luz;  Bojin Zhao;  Siddharth Sinha; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:6.8/7.9 | Submit date：2024/08/07
Ramachandran Plot  Molecular Dynamics Simulations  Tp53  Somatic Missense Variants  
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  
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  
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  
Classification of PTEN missense VUS through exascale simulations Journal article
Sinha, Siddharth, Li, Jiaheng, Tam, Benjamin, Wang, San Ming. Classification of PTEN missense VUS through exascale simulations[J]. Briefings in Bioinformatics, 2023, 24(6), bbad361.
Authors:  Sinha, Siddharth;  Li, Jiaheng;  Tam, Benjamin;  Wang, San Ming
Favorite | TC[WOS]:1 TC[Scopus]:1  IF:6.8/7.9 | Submit date：2023/12/04
Evolution Selection  Lipid Phosphatase Activity  Md Simulations  Pten  Replica Exchange Molecular Dynamics (Remd) Simulations  Variants Of Uncertain Significance (Vus)  
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  
Mesoscale Simulation of the Effect of pH on the Hydration Rate, Morphology, and Mechanical Performance of a Calcium-Silicate-Hydrate Gel Journal article
Zhang,Wei, Hou,Dongshuai, Wang,Pan, Xu,Jianguang, Li,Zongjin. Mesoscale Simulation of the Effect of pH on the Hydration Rate, Morphology, and Mechanical Performance of a Calcium-Silicate-Hydrate Gel[J]. Journal of Materials in Civil Engineering, 2023, 35(9), 04023302.
Authors:  Zhang,Wei;  Hou,Dongshuai;  Wang,Pan;  Xu,Jianguang;  Li,Zongjin
Favorite | TC[WOS]:1 TC[Scopus]:1  IF:3.1/3.6 | Submit date：2023/08/03
Cement Hydration  Grand Canonical Monte Carlo (Gcmc)  Mesoscale  Molecular Dynamics (Md)  Ph