An anisotropic coarse-grained model based on Gay-Berne and electric multipole potentials and its application to simulate a DMPC bilayer in an implicit solvent model. - Hujun Shen; Yan Li; Peijun Xu; Xiaofang Li; Huiying Chu; Dinglin Zhang; Guohui Li (J. Comput. Chem., 2015)

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)

Higher Accuracy Achieved for Protein-Ligand Binding Pose Prediction by Elastic Network Model-Based Ensemble Docking. - Anhui Wang; Yuebin Zhang; Huiying Chu; Chenyi Liao; Zhichao Zhang; Guohui Li (J. Chem. Inf. Model., 2020)