LigBuilder 2: A Practical de Novo Drug Design Approach. - Yaxia Yuan; Jianfeng Pei; Luhua Lai (J. Chem. Inf. Model., 2011)

De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy. - Erchang Shang; Yaxia Yuan; Xinyi Chen; Ying Liu; Jianfeng Pei; Luhua Lai (J. Chem. Inf. Model., 2014)

In Silico Observation of the Conformational Opening of the Glutathione-Binding Site of Microsomal Prostaglandin E2 Synthase-1. - Shuo Zhou; Ziyuan Zhou; Kai Ding; Yaxia Yuan; Fang Zheng 008; Chang-Guo Zhan (J. Chem. Inf. Model., 2019)

DyScore: A Boosting Scoring Method with Dynamic Properties for Identifying True Binders and Nonbinders in Structure-Based Drug Discovery. - Yanjun Li 005; Daohong Zhou; Guangrong Zheng; Xiaolin Li 001; Dapeng Wu 001; Yaxia Yuan (J. Chem. Inf. Model., 2022)