Ray Luo

52PUBLICATIONS
37CO-AUTHORS
Translational and applied bioinformaticsStatistical mechanics in chemistryBiomolecular modelling and designProteomics and intermolecular interactions (excl. medical proteomics)Computational chemistry
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Publications (52)

|Mar 30, 2026
AmberTorchPB: A Unified Framework for Poisson-Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation.

Yongxian Wu, Qiankang Wang, Robin Jiang

|Nov 14, 2025
DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and Validation.

Zhen Huang, Yong Duan, Xiongwu Wu

|Oct 08, 2025
Optimization of Lennard-Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field.

Taoyu Niu, Junmei Wang, Zhen Huang

|Oct 06, 2025
End-to-End Modeling of Reaction Field Energy Using Data-Driven Geometric Graph Neural Networks.

Yongxian Wu, Qiang Zhu, Ray Luo

|Jun 03, 2025
Grid-Context Convolutional Model for Efficient Molecular Surface Construction from Point Clouds.

Yongxian Wu, Ray Luo

|Apr 07, 2025
Isotropic Periodic Sum for Polarizable Gaussian Multipole Model.

Zhen Huang, Xiongwu Wu, Ray Luo

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Frequent Collaborators

13 joint publications

Yong Duan

10 joint publications

Piotr Cieplak

9 joint publications

Shiji Zhao

7 joint publications

Han Li