Hang Zheng

7PUBLICATIONS
13CO-AUTHORS
Computational chemistryBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsTheory and design of materialsBioinformatic methods development
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Publications (7)

|Aug 11, 2026
Improving Binding Free Energy Predictions with Swap Monte Carlo for Water Sampling.

|May 28, 2026
Efficient and Precise Force Field Optimization for Biomolecules Using DPA-3.

|May 15, 2026
Terminal-Flip Monte Carlo: Accelerating the Convergence of Molecular Dynamics and Alchemical Free Energy Calculations.

|Feb 28, 2026
LigandExplorer: An Automated Tool for Ligand Extraction from PDB Structures.

Yaqi Li, Rongfeng Zou, Maohua Yang

|Nov 27, 2025
Integrated Machine Learning and Structure-Based Virtual Screening Identifies Natural Product Targeting 50S Ribosome Inhibitory Activity Against Cutibacterium acnes.

Jixing Liu, Henry H Y Tong, Hang Zheng

|Oct 16, 2025
A Hybrid UA-CG Force Field for Aggregation Simulation of Amyloidogenic Peptide via Liquid-like Intermediates.

Hang Zheng, Shu Li, Wei Han

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Frequent Collaborators

3 joint publications

Xinyan Wang

2 joint publications

Shu Li

1 joint publications

Maohua Yang

1 joint publications

Zonghua Bo