Discovering inhibitors of TEAD palmitate binding pocket through virtual screening and molecular dynamics simulation. - Yimin Li; Yaqi Li; Chao Ning 009; Jianda Yue; Cheng Zhang; Xiao He 004; Ying Wang 069; Zhonghua Liu (Comput. Biol. Chem., 2022)

Discovery of Mcl-1 inhibitors through virtual screening, molecular dynamics simulations and in vitro experiments. - Jianda Yue; Yaqi Li; Fengjiao Li; Peng Zhang; Yimin Li; Jiawei Xu; Qianqian Zhang; Cheng Zhang; Xiao He 004; Ying Wang 069; Zhonghua Liu (Comput. Biol. Medicine, 2023)

Discovery of potential antidiabetic peptides using deep learning. - Jianda Yue; Jiawei Xu; Tingting Li; Yaqi Li; Zihui Chen; Songping Liang; Zhonghua Liu; Ying Wang 069 (Comput. Biol. Medicine, 2024)

Development of human lactate dehydrogenase a inhibitors: high-throughput screening, molecular dynamics simulation and enzyme activity assay. - Yuanyuan Shu; Jianda Yue; Yaqi Li; Yekui Yin; Jiaxu Wang; Tingting Li; Xiao He; Songping Liang; Gaihua Zhang; Zhonghua Liu; Ying Wang (J. Comput. Aided Mol. Des., 2024)

TastepepAI, An artificial intelligence platform for taste peptide de novo design. - Jianda Yue; Tingting Li; Jian Ouyang; Jiawei Xu; Hua Tan; Zihui Chen; Changsheng Han; Huanyu Li 013; Songping Liang; Zhonghua Liu; Zhonghua Liu; Ying Wang (CoRR, 2025)