Xueguang Shao

61PUBLICATIONS
39CO-AUTHORS
Statistical mechanics in chemistryFormal methods for softwareNanophotonicsEnvironmentally sustainable engineeringBioinformatic methods development
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Publications (61)

|Jul 15, 2026
A Tutorial on Dimensionality Reduction and Clustering for Molecular Dynamics Trajectories: From Linear Algorithms to Deep Learning.

|Jul 02, 2026
BFEE-Docking: A User-Friendly and Customizable End-to-End Tool from High-Throughput Virtual Screening to Binding Free-Energy Calculations.

|May 06, 2026
A Triple-Perception Adaptive Network for In Vivo Organ Recognition Using Diffuse Reflectance Hyperspectral Imaging.

|Apr 07, 2026
Correction to "One for All, All for One: A Unified Framework for Free-Energy Calculations".

Mengchen Zhou, Xuyang Liu, Xueguang Shao

|Apr 02, 2026
Wavelet-Enhanced Data-Driven Collective Variables for Efficient Sampling of Protein Folding Landscapes.

Zhiteng Zhang, Xueguang Shao, Wensheng Cai

|Mar 26, 2026
Proline-mediated conformational rigidity governs the ice-binding behavior of antifreeze glycopeptides.

Jingwen Zhang, Haipeng Wang, Xuyang Liu

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Frequent Collaborators

55 joint publications

Wensheng Cai

35 joint publications

Haohao Fu

22 joint publications

Christophe Chipot

15 joint publications

Xuyang Liu