1.Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation

An, XL, Bai, QF, Bai     More...

An, XL, Bai, QF, Bai, F, Shi, DF, Liu, HX, Yao, XJ     Less

FRONTIERS IN CHEMISTRY[2296-2646], Published 2019, Volume 7, Issue JUN,

收錄情况： WOS SCOPUS

WOS核心合集引用: 2  2024影響因子:  4.2  发表年影響因子:  3.693 

2.Prediction of the Antioxidant Response Elements' Response of Compound by Deep Learning

Bai, F, Hong, D, Lu,     More...

Bai, F, Hong, D, Lu, YY, Liu, HX, Xu, CL, Yao, XJ     Less

FRONTIERS IN CHEMISTRY[2296-2646], Published 2019, Volume 7, Issue MAY,

收錄情况： WOS SCOPUS

WOS核心合集引用: 9  2024影響因子:  4.2  发表年影響因子:  3.693 

3.Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship

Shi, DF, An, XL, Bai     More...

Shi, DF, An, XL, Bai, QF, Bing, ZT, Zhou, SY, Liu, HX, Yao, XJ     Less

FRONTIERS IN CHEMISTRY[2296-2646], Published 2019, Volume 7,

收錄情况： WOS SCOPUS

WOS核心合集引用: 39  2024影響因子:  4.2  发表年影響因子:  3.693 

4.Conformation Transition of Intracellular Part of Glucagon Receptor in Complex With Agonist Glucagon by Conventional and Accelerated Molecular Dynamics Simulations

Bai, QF, Tan, SY, Pe     More...

Bai, QF, Tan, SY, Perez-Sanchez, H, Feng, HX, Feng, LY, Liu, HX, Yao, XJ     Less

FRONTIERS IN CHEMISTRY[2296-2646], Published 2019, Volume 7,

收錄情况： WOS SCOPUS

WOS核心合集引用: 7  2024影響因子:  4.2  发表年影響因子:  3.693 

5.Editorial: Computational Approaches in Drug Discovery and Precision Medicine

Huang, ZN, Yao, XJ,     More...

Huang, ZN, Yao, XJ, Gu, RX     Less

FRONTIERS IN CHEMISTRY[2296-2646], Published 2021, Volume 8,

收錄情况： WOS SCOPUS

WOS核心合集引用: 2  2024影響因子:  4.2  发表年影響因子:  5.545 

6.Computational Insights Into the Inhibition Mechanism of Proanthocyanidin B2 on Tau Hexapeptide (PHF6) Oligomer

Li, Q, Xiong, CM, Li     More...

Li, Q, Xiong, CM, Liu, HL, Ge, HZ, Yao, XJ, Liu, HX     Less

FRONTIERS IN CHEMISTRY[2296-2646], Published 2021, Volume 9,

收錄情况： WOS SCOPUS

WOS核心合集引用: 5  2024影響因子:  4.2  发表年影響因子:  5.545