Huanxiang Liu

61PUBLICATIONS
49CO-AUTHORS
Biomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Cheminformatics and quantitative structure-activity relationshipsProteomics and metabolomicsMedical infection agents (incl. prions)
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Publications (61)

|Jul 15, 2026
Evaluating AI-Generated Molecules for Drug Discovery: From Generic Metrics to Translational Readiness.

|Jul 10, 2026
TPS-Flow: Physics-Guided Flow-Based Generative Modeling of Protein Transition Paths.

|Jun 24, 2026
Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

|May 26, 2026
A Multistage Virtual Screening Strategy Integrating Molecular Similarity, Deep Learning Scoring, and Molecular Docking toward the Discovery of Novel LRRK2 Inhibitors.

|May 15, 2026
Diffusion-Based Generative Model With Scaffold-Hopping Strategy Yields Highly Potent Bioactive Molecules.

|Apr 29, 2026
Comprehensive Assessment and Benchmark of Deep Generative Models for Proteolysis TArgeting Chimera (PROTAC) Design.

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Frequent Collaborators

19 joint publications

Xiaojun Yao

11 joint publications

Tingjun Hou

10 joint publications

Xiaojun Yao

8 joint publications

Qianqian Zhang