Zexing Cao

45PUBLICATIONS
41CO-AUTHORS
Computational chemistryWastewater treatment processesFood packaging, preservation and processingReaction kinetics and dynamicsChemical and thermal processes in energy and combustion
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (45)

|Jun 12, 2026
"In Situ" Orbital Correlations.

|Apr 27, 2026
Multiscale Simulations Reveal Distal Allosteric Reprogramming of Pocket Dynamics and Dual Hydrolytic Pathways in Engineered Methyl Parathion Hydrolase.

|Feb 25, 2026
Magnesium Ion-Regulated Aggregation Mechanism of Zein-Ovalbumin Complexes.

Min Huang, Yuanru Xu, Hao Li

|Jan 15, 2026
Degradation of Novichok nerve agent A234 by phosphotriesterase: insight into the pH-regulated mechanism from QM/MM and MM MD simulations.

Jun Yu, Yuzhuang Fu, Fangfang Fan

|Aug 24, 2025
Rational Design of Transition Metal-Phosphorus Dual-Atom Catalysts in Defective h-BN for CO<sub>2</sub> Hydrogenation and Cycloaddition.

Tairen Long, Yue Zhang, Zexing Cao

|Mar 24, 2025
Structural evolution and electronic properties of boron sulfides (B<sub>2</sub>S<sub>3</sub>)<sub></sub> (<i>n</i> = 1-6): insights from DFT calculations.

Jingxin Hu, Lin Zhang, Zexing Cao

Pageof 8

Frequent Collaborators

7 joint publications

Binju Wang

6 joint publications

Lin Zhang

4 joint publications

Yirong Mo

3 joint publications

Yuzhuang Fu