Recent Trends and Applications of Molecular Modeling in GPCR–Ligand Recognition and Structure-Based Drug Design

por Yuan, Xiaojing, Xu, Yechun
Publicado 2018

Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design

por Su, Haixia, Xu, Yechun
Publicado 2018

Potential treatment of COVID-19 by inhibitors of human dihydroorotate dehydrogenase

por Xu, Yechun, Jiang, Hualiang
Publicado 2020

Drug discovery and development targeting the life cycle of SARS-CoV-2

por Su, Haixia, Xu, Yechun, Jiang, Hualiang
Publicado 2021

Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics Simulations

por Cheng, Shanmei, Song, Wanling, Yuan, Xiaojing, Xu, Yechun
Publicado 2017

Varied Probability of Staying Collapsed/Extended at the Conformational Equilibrium of Monomeric Aβ(40) and Aβ(42)

por Song, Wanling, Wang, Yuanyuan, Colletier, Jacques-Philippe, Yang, Huaiyu, Xu, Yechun
Publicado 2015

Computational Studies on Acetylcholinesterases

por Xu, Yechun, Cheng, Shanmei, Sussman, Joel L., Silman, Israel, Jiang, Hualiang
Publicado 2017

Unraveling the catalytic mechanism of SARS-CoV-2 papain-like protease with allosteric modulation of C270 mutation using multiscale computational approaches

por Shao, Qiang, Xiong, Muya, Li, Jiameng, Hu, Hangchen, Su, Haixia, Xu, Yechun
Publicado 2023

Cross-Compatibility in Interspecific Hybridization of Different Curcuma Accessions

por Ye, Yuanjun, Zhou, Yiwei, Tan, Jianjun, Zhu, Genfa, Liu, Jinmei, Xu, Yechun
Publicado 2023

In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease

por Xiong, Muya, Nie, Tianqing, Shao, Qiang, Li, Minjun, Su, Haixia, Xu, Yechun
Publicado 2022

Complete Chloroplast Genome Sequences of Four Species in the Caladium Genus: Comparative and Phylogenetic Analyses

por Ye, Yuanjun, Liu, Jinmei, Zhou, Yiwei, Zhu, Genfa, Tan, Jianjun, Xu, Yechun
Publicado 2022

Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor

por Liu, Xinli, Xu, Yechun, Li, Honglin, Wang, Xicheng, Jiang, Hualiang, Barrantes, Francisco J
Publicado 2008

A Dynamic View of ATP-coupled Functioning Cycle of Hsp90 N-terminal Domain

por Zhang, Huaqun, Zhou, Chen, Chen, Wuyan, Xu, Yechun, Shi, Yanhong, Wen, Yi, Zhang, Naixia
Publicado 2015

Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation

por Guo, Sheng, Xie, Hang, Lei, Yu, Liu, Bin, Zhang, Li, Xu, Yechun, Zuo, Zhili
Publicado 2021

Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level

por Song, Wanling, Bajaj, Harsha, Nasrallah, Chady, Jiang, Hualiang, Winterhalter, Mathias, Colletier, Jacques-Philippe, Xu, Yechun
Publicado 2015

Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease

por Wang, Qian, Chen, Guofeng, He, Jian, Li, Jiameng, Xiong, Muya, Su, Haixia, Li, Minjun, Hu, Hangchen, Xu, Yechun
Publicado 2023

Virtual Screening and Structure-Based Discovery of Indole Acylguanidines as Potent β-secretase (BACE1) Inhibitors

por Zou, Yiquan, Li, Li, Chen, Wuyan, Chen, Tiantian, Ma, Lanping, Wang, Xin, Xiong, Bing, Xu, Yechun, Shen, Jingkang
Publicado 2013

Bispecific prodrug nanoparticles circumventing multiple immune resistance mechanisms for promoting cancer immunotherapy

por Ye, Jiayi, Hou, Bo, Chen, Fangmin, Zhang, Shunan, Xiong, Muya, Li, Tianliang, Xu, Yechun, Xu, Zhiai, Yu, Haijun
Publicado 2022

Flavonoids from the roots and rhizomes of Sophoratonkinensis and their in vitro anti-SARS-CoV-2 activity

por LI, Zhuo, XIE, Hang, TANG, Chunping, FENG, Lu, KE, Changqiang, XU, Yechun, SU, Haixia, YAO, Sheng, YE, Yang
Publicado 2023

Efficient discovery of potential inhibitors for SARS-CoV-2 3C-like protease from herbal extracts using a native MS-based affinity-selection method

por Zhu, Dafu, Su, Haixia, Ke, Changqiang, Tang, Chunping, Witt, Matthias, Quinn, Ronald J., Xu, Yechun, Liu, Jia, Ye, Yang
Publicado 2022