Huanxiang Liu

66PUBLICATIONS
56CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsGene and molecular therapyComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Proteomics and metabolomics
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Publications (66)

|Sep 10, 2026
CoCoBind: Consistency-Contrastive Multitask Learning for RNA-Ligand Interaction and Binding Site Prediction.

|Sep 09, 2026
Task-adaptive multimodal molecular representations for structure-sensitive property prediction.

|Aug 31, 2026
An OpenMM-Based ML/MM-MMGBSA Workflow for End-point Protein-Ligand Binding Energy Ranking.

|Aug 30, 2026
Identification of New Anti-Trypanosoma brucei Leads: An Integrated CRK12-Guided Virtual Screen With Experimental Validation.

|Aug 21, 2026
A Unified Hierarchical Multiscale Fusion Framework for Drug-Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery.

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

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Frequent Collaborators

21 joint publications

Xiaojun Yao

12 joint publications

Xiaojun Yao

11 joint publications

Tingjun Hou

9 joint publications

Qianqian Zhang