Yanzi Zhou

13PUBLICATIONS
9CO-AUTHORS
Complex systemsChemical and thermal processes in energy and combustionPyrometallurgyMicroelectromechanical systems (MEMS)Radiation and matter
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Publications (13)

|Aug 31, 2026
Enhancing Machine-Learned Electrostatic Models with Linear Response Theory for Multiscale Simulations in Enzymes.

|Jul 16, 2026
Hybrid ML/MM Simulations for Computational Enzymology: Recent Advances and Challenges.

|May 28, 2026
A Dual-Focus Workflow for Simultaneously Engineering High Thermostability of Aldo-Keto Reductase for the Degradation of 3-Keto-Deoxynivalenol.

|May 22, 2025
QM/MM-MD Studies on the Degradation Mechanism and Size Effect of PET by PETase.

|Apr 24, 2025
Modeling Enzyme Reaction and Mutation by Direct Machine Learning/Molecular Mechanics Simulations.

Xinhu Sha, Zhuo Chen, Daiqian Xie

|Jul 22, 2024
Full quantum calculations of the line shape for H2O perturbed by Ar at temperatures from 20 to 300 K.

Shijie Chai, Yipeng Yu, Dongzheng Yang

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Frequent Collaborators

11 joint publications

Daiqian Xie

4 joint publications

Dongzheng Yang

3 joint publications

Xinhu Sha

2 joint publications

Shijie Chai