Theoretical studies on pyridoxal 5'-phosphate-dependent transamination of alpha-amino acids. - Rong-Zhen Liao; Wan-Jian Ding; Jian-Guo Yu; Wei-Hai Fang; Ruo-Zhuang Liu (J. Comput. Chem., 2008)

DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex. - Na Qi; Rong-Zhen Liao; Jian-Guo Yu; Ruo-Zhuang Liu (J. Comput. Chem., 2010)

Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase. - Rong-Zhen Liao; Walter Thiel (J. Comput. Chem., 2013)

Revealing the Mechanism of Isethionate Sulfite-Lyase by QM/MM Calculations. - Wen-Hao Deng; You Lu; Rong-Zhen Liao (J. Chem. Inf. Model., 2021)

Cysteine Radical and Glutamate Collaboratively Enable C-H Bond Activation and C-N Bond Cleavage in a Glycyl Radical Enzyme HplG. - Wen-Hao Deng; Rong-Zhen Liao (J. Chem. Inf. Model., 2024)