Zhirong Liu

22PUBLICATIONS
85CO-AUTHORS
Catalysis and mechanisms of reactionsComputational chemistryBioinformatic methods developmentBiomolecular modelling and designMetal organic frameworks
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Publications (22)

|Jun 12, 2026
Deciphering the Molecular Mechanisms of Tau K18 Liquid-Liquid Phase Separation and Its Phosphorylation/RNA-Mediated Modulation via Coarse-Grained Simulations.

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

|Feb 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

|Sep 25, 2025
Robust Prediction of Protein-Ligand Binding Potency with Multi-modal Customized Gate Control.

Bofei Xu, Wenting Tang, Danial Muhammad

|Feb 14, 2025
Intermolecular Interaction, Electronic Structure and Aromaticity of Possible Dimers of Cyclo[18]Carbon (C18).

Chengli Pan, Zhirong Liu

|Dec 25, 2024
True Dynamics of Pillararene Host-Guest Binding.

Xiaohui Wang, Zuo-Yuan Zhang, Xiao He

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Frequent Collaborators

5 joint publications

Zhaoxi Sun

3 joint publications

Xuefeng Guo

2 joint publications

Zijian Wang

2 joint publications

Qiaojing Huang