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Molecular dynamics simulations reveal the disruption mechanism of a 2,4-thiazolidinedione derivative C30 against tau hexapeptide (PHF6) oligomer Journal article
Liu, Hongli, Zhong, Haiyang, Liu, Huanxiang, Yao, Xiaojun. Molecular dynamics simulations reveal the disruption mechanism of a 2,4-thiazolidinedione derivative C30 against tau hexapeptide (PHF6) oligomer[J]. Proteins: Structure, Function and Bioinformatics, 2022, 90(1), 142-154.
Authors:  Liu, Hongli;  Zhong, Haiyang;  Liu, Huanxiang;  Yao, Xiaojun
Favorite | TC[WOS]:5 TC[Scopus]:5  IF:3.2/2.8 | Submit date：2023/01/30
2,4-thiazolidinedione Derivative  Mm-gbsa  Molecular Dynamics Simulation  Phf6  Tau  
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  
Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening Journal article
Shaikh F., Siu S.W.I.. Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening[J]. Medicinal Chemistry Research, 2016, 25(8), 1564-1573.
Authors:  Shaikh F.;  Siu S.W.I.
Favorite | TC[WOS]:15 TC[Scopus]:17 | Submit date：2019/04/04
C5ar  Homology Modeling  Mm-gbsa  Molecular Docking  Natural Compound Inhibitor  Virtual Screening