Xueguang Shao

62PUBLICATIONS
40CO-AUTHORS
Biomolecular modelling and designStatistical mechanics in chemistryFormal methods for softwareNanophotonicsBioinformatic methods development
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Publications (62)

|Sep 08, 2026
Alchemical Free-Energy Framework for Multiresidue Reoptimization of Antimicrobial Peptide-Membrane Affinity.

|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 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

56 joint publications

Wensheng Cai

35 joint publications

Haohao Fu

22 joint publications

Christophe Chipot

15 joint publications

Xuyang Liu