Yongxian Wu | Ray Luo Lab

Yongxian Wu

PhD Student

University of California, Irvine

Yongxian Wu works in the Luo Lab with a background in Chemistry.

Publications (12)

Publications listed in the lab bibliography, across all years.

2026

Yongxian Wu, Piotr Cieplak, Yong Duan, Ray Luo (2026). pGM5P-26: A Polarizable Gaussian Multipole Water Model with Transferable Temperature-Dependent Thermodynamics. Journal of Chemical Theory and Computation.

Yongxian Wu, Qiankang Wang, Robin Jiang, Ray Luo (2026). AmberTorchPB: A Unified Framework for Poisson–Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation. Journal of Chemical Theory and Computation.

2025

Yongxian Wu, Qiang Zhu, Ray Luo (2025). End-to-End Modeling of Reaction Field Energy Using Data-Driven Geometric Graph Neural Networks. Journal of Chemical Theory and Computation.

Yongxian Wu, Ray Luo (2025). Grid-Context Convolutional Model for Efficient Molecular Surface Construction from Point Clouds. Journal of Chemical Theory and Computation.

Yongxian Wu, Qiang Zhu, Zhen Huang, Piotr Cieplak, Yong Duan, Ray Luo (2025). Automated Refinement of Property-Specific Polarizable Gaussian Multipole Water Models Using Bayesian Black-Box Optimization. Journal of Chemical Theory and Computation.

Zhen Huang, Yongxian Wu, Yong Duan, Ray Luo (2025). Performance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulations. Journal of Chemical Theory and Computation.

2024

Qiang Zhu, Yongxian Wu, Ray Luo (2024). Understanding and fine-tuning the propensity of ATP-driven liquid-liquid phase separation with oligolysine. Biophysical Journal.

Ashfaq Ur Rehman, Cizhang Zhao, Yongxian Wu, Qiang Zhu, Ray Luo (2024). Targeting SHP2 Cryptic Allosteric Sites for Effective Cancer Therapy. International Journal of Molecular Sciences.

Derek Aspacio, Yulai Zhang, Youtian Cui, Emma Luu, Edward King, William B. Black, Sean Perea, Qiang Zhu, Yongxian Wu, Ray Luo, Justin B. Siegel, Han Li (2024). Shifting redox reaction equilibria on demand using an orthogonal redox cofactor. Nature Chemical Biology.

Yongxian Wu, Qiang Zhu, Ray Luo (2024). Many-body effects in machine-learned molecular surface predictions. Biophysical Journal.

2023

Yongxian Wu, Haixin Wei, Qiang Zhu, Ray Luo (2023). Grid-Robust Efficient Neural Interface Model for Universal Molecule Surface Construction from Point Clouds. The Journal of Physical Chemistry Letters.

Qiang Zhu, Yongxian Wu, Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo (2023). Streamlining and Optimizing Strategies of Electrostatic Parameterization. Journal of Chemical Theory and Computation.