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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)  
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)  
Rbd double mutations of sars-cov-2 strains increase transmissibility through enhanced interaction between rbd and ace2 receptor Journal article
Sinha, Siddharth, Tam, Benjamin, Wang, San Ming. Rbd double mutations of sars-cov-2 strains increase transmissibility through enhanced interaction between rbd and ace2 receptor[J]. Viruses, 2022, 14(1).
Authors:  Sinha, Siddharth;  Tam, Benjamin;  Wang, San Ming
Favorite | TC[WOS]:11 TC[Scopus]:11  IF:3.8/4.0 | Submit date：2022/02/21
Antibody Escape  Free Energy  Md Simulations  Mm/gbsa  Sars-cov-2  Variants  
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]:35 TC[Scopus]:46  IF:4.4/4.8 | Submit date：2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion