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

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

Evaluating the efficacy and timing of blood purification modalities in early-stage hyperlipidemic acute pancreatitis treatment

por Wang, Jianjun, Xia, Yang, Cao, Yuan, Cai, Xianfu, Jiang, Shichun, Liao, Yougang, Shi, Mingsong, Luo, Huiwen, Wang, Decai
Publicado 2023

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

Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculation Insights into the Binding Mechanism between VS-4718 and Focal Adhesion Kinase

por Shi, Mingsong, Chen, Tao, Wei, Siping, Zhao, Chenyu, Zhang, Xinyu, Li, Xinghui, Tang, Xinyi, Liu, Yan, Yang, Zhuang, Chen, Lijuan
Publicado 2022

Novel organoid construction strategy for non-involuting congenital hemangioma for drug validation

por Wei, Haoche, Li, Yanan, Li, Li, Hu, Qian, Shi, Mingsong, Cheng, Linbo, Jiang, Xile, Zhou, Yanting, Chen, Siyuan, Ji, Yi, Chen, Lijuan
Publicado 2023

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

Identification of abemaciclib derivatives targeting cyclin-dependent kinase 4 and 6 using molecular dynamics, binding free energy calculation, synthesis, and pharmacological evalua...

por Zhou, Yanting, Li, Xiandeng, Luo, Peifang, Chen, Huiting, Zhou, Yan, Zheng, Xueting, Yin, Yuan, Wei, Haoche, Liu, Hongji, Xia, Wen, Shi, Mingsong, Li, Xiaoan
Publicado 2023

Selectivity Mechanism of Pyrrolopyridone Analogues Targeting Bromodomain 2 of Bromodomain-Containing Protein 4 from Molecular Dynamics Simulations

por Shi, Mingsong, Zheng, Xueting, Zhou, Yan, Yin, Yuan, Lu, Zhou, Zou, Zhiyan, Hu, Yan, Liang, Yuanyuan, Chen, Tingting, Yang, Yuhan, Jing, Meng, Lei, Dan, Yang, Pei, Li, Xiaoan
Publicado 2023

Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2(V617F)-induced myeloproliferative neoplasms

por Hu, Mengshi, Yang, Tao, Yang, Linyu, Niu, Lu, Zhu, Jinbing, Zhao, Ailin, Shi, Mingsong, Yuan, Xue, Tang, Minghai, Yang, Jianhong, Pei, Heying, Yang, Zhuang, Chen, Qiang, Ye, Haoyu, Niu, Ting, Chen, Lijuan
Publicado 2022