Molecular Dynamics Investigations Suggest a Non-specific Recognition Strategy of 14-3-3σ Protein by Tweezer: Implication for the Inhibition Mechanism

por Shi, Mingsong, Xu, Dingguo
Publicado 2019

GPU Accelerated Quantum Virtual Screening: Application for the Natural Inhibitors of New Dehli Metalloprotein (NDM-1)

por Shi, Mingsong, Xu, Dingguo, Zeng, Jun
Publicado 2018

Exploring the Binding Mechanism of a Supramolecular Tweezer CLR01 to 14-3-3σ Protein via Well-Tempered Metadynamics

por Zhou, Xin, Shi, Mingsong, Wang, Xin, Xu, Dingguo
Publicado 2022

Dasatinib–SIK2 Binding Elucidated by Homology Modeling, Molecular Docking, and Dynamics Simulations

por Shi, Mingsong, Wang, Lun, Li, Penghui, Liu, Jiang, Chen, Lijuan, Xu, Dingguo
Publicado 2021

Density Functional Theory Investigations of D-A-D' Structural Molecules as Donor Materials in Organic Solar Cell

por Chen, Junxian, Liu, Qingyu, Li, Hao, Zhao, Zhigang, Lu, Zhiyun, Huang, Yan, Xu, Dingguo
Publicado 2018

A Ti-MOF Decorated With a Pt Nanoparticle Cocatalyst for Efficient Photocatalytic H(2) Evolution: A Theoretical Study

por Zhong, Yeshuang, Wang, Ruihan, Wang, Xin, Lin, Zhien, Jiang, Gang, Yang, Mingli, Xu, Dingguo
Publicado 2020

Purification and biochemical characterization of FrsA protein from Vibrio vulnificus as an esterase

por Wang, Xiaoqin, Li, Zhi-Min, Li, Qingyue, Shi, Mingsong, Bao, Lingling, Xu, Dingguo, Li, Zhimin
Publicado 2019

Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib

por Shi, Mingsong, Wang, Lun, Liu, Kongjun, Chen, Yong, Hu, Mengshi, Yang, Linyu, He, Jun, Chen, Lijuan, Xu, Dingguo
Publicado 2022

Mussel-inspired nanozyme catalyzed conductive and self-setting hydrogel for adhesive and antibacterial bioelectronics

por Jia, Zhanrong, Lv, Xuanhan, Hou, Yue, Wang, Kefeng, Ren, Fuzeng, Xu, Dingguo, Wang, Qun, Fan, Kelong, Xie, Chaoming, Lu, Xiong
Publicado 2021

Interactions between curcumin and human salt-induced kinase 3 elucidated from computational tools and experimental methods

por Shi, Mingsong, Zhou, Yan, Wei, Haoche, Zhang, Xinyu, Du, Meng, Zhou, Yanting, Yin, Yuan, Li, Xinghui, Tang, Xinyi, Sun, Liang, Xu, Dingguo, Li, Xiaoan
Publicado 2023