Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of I...

por Zhang, Qianqian, Han, Jianting, Zhu, Yongchang, Tan, Shuoyan, Liu, Huanxiang
Publicado 2022

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

por Bai, Qifeng, Tan, Shuoyan, Xu, Tingyang, Liu, Huanxiang, Huang, Junzhou, Yao, Xiaojun
Publicado 2020

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

por Bai, Qifeng, Tan, Shuoyan, Pérez-Sánchez, Horacio, Feng, Haixia, Feng, Liya, Liu, HuanXiang, Yao, Xiaojun
Publicado 2019