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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  
Ferroelasticity in Two-Dimensional Hybrid Ruddlesden-Popper Perovskites Mediated by Cross-Plane Intermolecular Coupling and Metastable Funnel-like Phases Journal article
Kripalani, Devesh R., Guan, Qiye, Yan, Hejin, Cai, Yongqing, Zhou, Kun. Ferroelasticity in Two-Dimensional Hybrid Ruddlesden-Popper Perovskites Mediated by Cross-Plane Intermolecular Coupling and Metastable Funnel-like Phases[J]. ACS NANO, 2024, 18(22), 14187-14197.
Authors:  Kripalani, Devesh R.;  Guan, Qiye;  Yan, Hejin;  Cai, Yongqing;  Zhou, Kun
Favorite | TC[WOS]:1 TC[Scopus]:1  IF:15.8/16.2 | Submit date：2024/06/05
Electronic Properties  Ferroelasticity  First-principles Calculations  Metadynamics Simulations  Organic−inorganic Hybrid Perovskites  Phase Transitions  Two-dimensional Materials  
Molecular insight into the initial hydration of tricalcium aluminate Journal article
Ming, Xing, Si, Wen, Yu, Qinglu, Sun, Zhaoyang, Qiu, Guotao, Cao, Mingli, Li, Yunjian, Li, Zongjin. Molecular insight into the initial hydration of tricalcium aluminate[J]. Nature Communications, 2024, 15(1), 2929.
Authors:  Ming, Xing;  Si, Wen;  Yu, Qinglu;  Sun, Zhaoyang;  Qiu, Guotao; et al.
Favorite | TC[WOS]:6 TC[Scopus]:7  IF:14.7/16.1 | Submit date：2024/05/16
Reactive Force-field  Crystal-structure  Dynamics  Dissolution  Simulations  Transition  Interface  Corrosion  Concrete  Cement  
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)  
Spatiotemporal parallel physics-informed neural networks: A framework to solve inverse problems in fluid mechanics Journal article
Xu, Shengfeng, Yan, Chang, Zhang, Guangtao, Sun, Zhenxu, Huang, Renfang, Ju, Shengjun, Guo, Dilong, Yang, Guowei. Spatiotemporal parallel physics-informed neural networks: A framework to solve inverse problems in fluid mechanics[J]. Physics of Fluids, 2023, 35(6), 065141.
Authors:  Xu, Shengfeng;  Yan, Chang;  Zhang, Guangtao;  Sun, Zhenxu;  Huang, Renfang; et al.
Favorite | TC[WOS]:8 TC[Scopus]:10  IF:4.1/4.1 | Submit date：2023/07/20
Artificial Neural Networks  Machine Learning  Fluid Mechanics  Navier Stokes Equations  Turbulence Simulations  Turbulent Flows  Viscosity  
DARVIC: Dihedral angle-reliant variant impact classifier for functional prediction of missense VUS Journal article
Lagniton,Philip Naderev P., Tam,Benjamin, Wang,San Ming. DARVIC: Dihedral angle-reliant variant impact classifier for functional prediction of missense VUS[J]. Computer Methods and Programs in Biomedicine, 2023, 238, 107596.
Authors:  Lagniton,Philip Naderev P.;  Tam,Benjamin;  Wang,San Ming
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:4.9/5.5 | Submit date：2023/08/03
Dihedral Angles  Human Muty Homolog (Mutyh)  Missense Variants  Molecular Dynamics Simulations (Md Simulations)  Protein Structure  Ramachandran Principle  Tumor Protein 53 (Tp53)  
Unravelling the dissolution dynamics of silicate minerals by deep learning molecular dynamics simulation: A case of dicalcium silicate Journal article
Yunjian Li, Hui Pan, Zongjin Li. Unravelling the dissolution dynamics of silicate minerals by deep learning molecular dynamics simulation: A case of dicalcium silicate[J]. CEMENT AND CONCRETE RESEARCH, 2023, 165, 107092.
Authors:  Yunjian Li;  Hui Pan;  Zongjin Li
Favorite | TC[WOS]:9 TC[Scopus]:9  IF:10.9/14.4 | Submit date：2023/04/03
Ab Initio Molecular Dynamics Simulations  Deep Neural Network Potential  Dicalcium Silicate  Dissolution  Thermodynamics And Kinetics  
Near-infrared fluorophores with absolute aggregation-caused quenching and negligible fluorescence re-illumination for in vivo bioimaging of nanocarriers Journal article
Cai, Yifan, Ji, Xin, Zhang, Yunsen, Liu, Chang, Zhang, Zichen, Lv, Yongjiu, Dong, Xiaochun, He, Haisheng, Qi, Jianping, Lu, Yi, Ouyang, Defang, Zhao, Weili, Wu, Wei. Near-infrared fluorophores with absolute aggregation-caused quenching and negligible fluorescence re-illumination for in vivo bioimaging of nanocarriers[J]. Aggregate, 2022.
Authors:  Cai, Yifan;  Ji, Xin;  Zhang, Yunsen;  Liu, Chang;  Zhang, Zichen; et al.
Favorite | TC[WOS]:30 TC[Scopus]:27 | Submit date：2024/01/10
Absolute Aggregation-caused Quenching  Aza-bodipy  Fluorescence Bioimaging  Fluorescence Re-illumination  Molecular Dynamics Simulations  Nanocarriers  Near-infrared  
Applications of Molecular Dynamics Simulation in Protein Study Review article
2022
Authors:  Sinha, Siddharth;  Tam, Benjamin;  Wang, San Ming
Favorite | TC[WOS]:32 TC[Scopus]:37  IF:3.3/3.6 | Submit date：2022/10/06
Molecular Dynamics Simulations  Enhanced Sampling Techniques  Membrane Dynamics  Gpcrs  Lipid-protein Interactions  Ace-2 Membrane Receptor  
Mechanistic insights into the clinical Y96D mutation with acquired resistance to AMG510 in the KRASG12C Journal article
Zhuang, Haiming, Fan, Jigang, Li, Mingyu, Zhang, Hao, Yang, Xiuyan, Lin, Ligen, Lu, Shaoyong, Wang, Qing, Liu, Yaqin. Mechanistic insights into the clinical Y96D mutation with acquired resistance to AMG510 in the KRASG12C[J]. Frontiers in Oncology, 2022, 12, 915512.
Authors:  Zhuang, Haiming;  Fan, Jigang;  Li, Mingyu;  Zhang, Hao;  Yang, Xiuyan; et al.
Favorite | TC[WOS]:7 TC[Scopus]:6  IF:3.5/4.0 | Submit date：2022/09/07
Amg510  Drug Resistance  G12c  Kras  Molecular Dynamics Simulations