Xiaokun Zhang

Identification of FLT3-ITD inhibitors through AI-guided virtual screening, biochemical validation, DFT analysis, and molecular dynamics simulation

Cong Wang, Huijie Han, Xiaokun Zhang, Chaochun Wei et autres

cn (code pays fourni par la source)

Dynamic remodeling of USP28 by the selective inhibitor CAS-010: Insights from DFT and molecular dynamics simulations

Cong Wang, Nana Tian, Huijie Han, Xiaokun Zhang et autres

cn (code pays fourni par la source)

Discovery of novel anaplastic lymphoma kinase inhibitors with enhanced binding interactions for non-small cell lung cancer via in silico approaches and retrospective experimental data support

Yu Zhang, Peng Jiao, Yeming Wang, Xiaokun Zhang et autres

cn (code pays fourni par la source)

Durable superamphiphobic coating with hierarchical micro-nano structure for synergistic self-cleaning and anti-icing

Xiaokun Zhang, Shuyang Xing, Yepeng Zhang, Shengzhe Sun et autres

cn (code pays fourni par la source)

Polyhedral alkanes as hydrophobic tags for dual-functional ALK inhibitor-degrader

Dongchen Chu, Huijie Han, Chaochun Wei, Xiaokun Zhang et autres

cn (code pays fourni par la source)

Visible-Light-Induced Cycloaddition and Proton Transfer of 1,4-Dihydropyridines: An Integrated Experimental and DFT Study

Changwei Ge, Yifan Zhang, H. F. Li, Xiaokun Zhang et autres

The photoreaction of 1,4-dihydropyridines (1,4-DHPs) is a powerful strategy for constructing structurally complex molecules, yet controlling product distribution remains challenging. Here, we report a visible-light-induced transformation that enables access to 3,9-diazatetraasteranes ( 2 ) and 3,12-diazatetracyclododecane-dienes ( 3 ). The product distribution …

cn (code pays fourni par la source)

Discovery of novel ULK1 inhibitors by virtual screening, synthesis, in vitro assay and molecular dynamics simulations

Yifan Yang, Huijie Han, Jingjing Li, Chaochun Wei et autres

cn (code pays fourni par la source)

Novel PROTACs with polyhedral alkanes as linkers for enhanced ALK degradation in drug-resistant NSCLC

Dongchen Chu, Huijie Han, Chaochun Wei, Xiaokun Zhang et autres

cn (code pays fourni par la source)

Identification of human glutaminyl cyclase inhibitors for Alzheimer’s disease: integrating virtual screening, DFT calculations, and molecular dynamics simulation

Jingjing Li, Chaochun Wei, Xiaokun Zhang, Qi‐Di Zhong et autres

cn (code pays fourni par la source)

Photophysical and photochemical reactivity of 1,4-dihydropyrazine derivatives: A theoretical investigation using DFT and TDDFT

Changwei Ge, Haojing Li, Chaochun Wei, Xiaokun Zhang et autres

cn (code pays fourni par la source)

Tri‐Sites Element Doping with Eu─Al─F Toward Stable High‐Voltage LiCoO 2

Yutong Yao, Guo Wang, Xiaokun Zhang, Chunyue Li et autres

Abstract LiCoO 2 (LCO), as the dominating cathode material for lithium‐ion batteries, still cannot satisfy the growing demand for higher energy density required by advanced consumer electronic devices. Increasing the charging cut‐off voltage can significantly improve the capacity of LCO, but it …

cn, hk, us (code pays fourni par la source)

Stepwise Screening of Doping Elements for High‐Voltage LiCoO 2 via Materials Genome Approach

Yutong Yao, Xiaokun Zhang, Zhiyu Xue, Xiehang Chen et autres

Abstract Lithium cobalt oxide (LCO), due to its high energy and compacted density, has attracted great interests and become a prevalent cathodes in consumer electronics. Elevating the charging cutoff voltage enables the attainment of higher specific capacity, but irreversible phase transitions and …

cn (code pays fourni par la source)