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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)  
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  
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)  
An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design Journal article
Gao,Hanlu, Wang,Wei, Dong,Jie, Ye,Zhuyifan, Ouyang,Defang. An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design[J]. European Journal of Pharmaceutics and Biopharmaceutics, 2021, 158, 336-346.
Authors:  Gao,Hanlu;  Wang,Wei;  Dong,Jie;  Ye,Zhuyifan;  Ouyang,Defang
Favorite | TC[WOS]:38 TC[Scopus]:51  IF:4.4/4.8 | Submit date：2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
Molecular dynamics study of water and ions transported during the nanopore calcium silicate phase: Case study of jennite Journal article
Hou D., Li Z.. Molecular dynamics study of water and ions transported during the nanopore calcium silicate phase: Case study of jennite[J]. Journal of Materials in Civil Engineering, 2014, 26(5), 930-940.
Authors:  Hou D.;  Li Z.
Favorite | TC[WOS]:48 TC[Scopus]:71 | Submit date：2019/04/08
Calcium Silicate Hydrate  Chloride Binding  Jennite  Molecular Dynamics (Md)