GPU accelerated numerical simulations of viscoelastic phase separation model. - Keda Yang; Jiaye Su; Hongxia Guo (J. Comput. Chem., 2012)

Temperature dependence of the transport of single-file water molecules through a hydrophobic channel. - Jiaye Su; Keda Yang (J. Comput. Chem., 2016)

MolProphet: A One-Stop, General Purpose, and AI-Based Platform for the Early Stages of Drug Discovery. - Keda Yang; Zewen Xie; Zhen Li; Xiaoliang Qian; Nannan Sun; Tao He; Zuodong Xu; Jing Jiang; Qi Mei; Jie Wang; Shugang Qu; Xiaoling Xu; et al. (J. Chem. Inf. Model., 2024)