- DepartmentCollege of Chemistry and Molecular Engineering, Peking University
- Research Interest
Research Interests:We are interested in utilizing theoretical approaches and simulation tools to investigate the physical problems in biological and chemical systems. At present, we focus on protein f
We are interested in utilizing theoretical approaches and simulation tools to investigate the physical problems in biological and chemical systems. At present, we focus on protein folding (especially for Intrinsically Disordered Proteins (IDPs)), DNA disentanglement, and Kinetics speeding-up algorithm. We also do first-principles calculations on graphene.
Maodong Li and Zhirong Liu*. Dimensions, energetics and denaturant effects of protein unstructured state.Protein Sci. 25, 734 (2016).
Yugang Zhang, Huaiqing Cao, and Zhirong Liu*. Binding cavities and druggability of intrinsically disordered proteins. Protein Sci. 24, 688 (2015). (Cover paper)
Zhirong Liu* and Yongqi Huang. Advantages of proteins being disordered. Protein. Sci. 23, 539 (2014). (Invited review)
Fan Jin, Chen Yu, Luhua Lai*, and Zhirong Liu*. Ligand clouds around protein clouds: a scenario of ligand binding with intrinsically disordered proteins. PLoS Comput. Biol. 9, e1003249 (2013). (Cover paper)
Jinying Wang, Ruiqi Zhao, Mingmei Yang, Zhongfan Liu*, and Zhirong Liu*. Inverse relationship between carrier mobility and band gap in graphene. J. Chem. Phys.138, 084701 (2013).(Cover paper)
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