Xiongwu Wu

5PUBLICATIONS
8CO-AUTHORS
Statistical mechanics in chemistryChemical and thermal processes in energy and combustionChemical thermodynamics and energetics
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Publications (5)

|May 13, 2026
Multiscale machine learning molecular mechanics for mechanism and stereoselectivity of Diels-Alderase catalysis.

|Dec 08, 2025
Redefining Computational Enzymology with Multiscale Machine Learning/Molecular Mechanics: Catalytic Mechanism and Stereoselectivity in Diels-Alderases.

Xujian Wang, Haocheng Tang, Xiongwu Wu

|Nov 13, 2025
Self-Guided Molecular Simulation Methods.

Xiongwu Wu, Bernard R Brooks

|Jun 13, 2019
A double exponential potential for van der Waals interaction.

Xiongwu Wu, Bernard R Brooks

|Oct 17, 2018
Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host-guest challenges.

Naohiro Nishikawa, Kyungreem Han, Xiongwu Wu

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Frequent Collaborators

2 joint publications

Wan-Lu Li

2 joint publications

Xujian Wang

2 joint publications

Haocheng Tang

1 joint publications

Naohiro Nishikawa