Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform. - Xiangda Peng; Yuebin Zhang; Huiying Chu; Guohui Li (J. Comput. Chem., 2016)

Fully Flexible Molecular Alignment Enables Accurate Ligand Structure Modeling. - Zhihao Wang; Fan Zhou; Zechen Wang; Qiuyue Hu; Yong-Qiang Li; Sheng Wang; Yanjie Wei; Liangzhen Zheng; Weifeng Li; Xiangda Peng (J. Chem. Inf. Model., 2024)