Human Microsomal Prostaglandin E Synthase-1 (mPGES-1) Binding with Inhibitors and the Quantitative Structure-Activity Correlation. - Mohamed Diwan M. AbdulHameed; Adel Hamza; Junjun Liu 001; Xiaoqin Huang; Chang-Guo Zhan (J. Chem. Inf. Model., 2008)

Combined 3D-QSAR Modeling and Molecular Docking Study on Indolinone Derivatives as Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase-1. - Mohamed Diwan M. AbdulHameed; Adel Hamza; Junjun Liu 001; Chang-Guo Zhan (J. Chem. Inf. Model., 2008)

Computational determination of fundamental pathway and activation barriers for acetohydroxyacid synthase-catalyzed condensation reactions of alpha-keto acids. - Ying Xiong; Junjun Liu 001; Guangfu Yang; Chang-Guo Zhan (J. Comput. Chem., 2010)

Fast and Reliable Thermodynamic Approach for Determining the Protonation State of the Asp Dyad. - Jinfeng Huang; Bin Sun 005; Yuan Yao; Junjun Liu 001 (J. Chem. Inf. Model., 2017)

Conserved Protonation Pattern in the Extended Active Site of Human Carboxylesterase 1 and Its Impact on Enzyme Catalysis. - Zijian Huang 019; Zelin Wu; Suitian Lai; Xiabin Chen; Junjun Liu 001 (J. Chem. Inf. Model., 2025)