Global solvability of a class of reaction-diffusion systems with cross-diffusion. - Zhi-An Wang; Leyun Wu (Appl. Math. Lett., 2022)

Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations. - Leyun Wu; Cheng Peng; Yanqing Yang; Yulong Shi; Liping Zhou; Zhijian Xu; Weiliang Zhu (Briefings Bioinform., 2022)

D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19. - Yanqing Yang; Deshan Zhou; Xinben Zhang; Yulong Shi; Jiaxin Han; Liping Zhou; Leyun Wu; Minfei Ma; Jintian Li; Shaoliang Peng; Zhijian Xu; Weiliang Zhu (Briefings Bioinform., 2022)

Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses. - Minfei Ma; Yanqing Yang; Leyun Wu; Liping Zhou; Yulong Shi; Jiaxin Han; Zhijian Xu; Weiliang Zhu (Comput. Biol. Medicine, 2022)

Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay. - Liping Zhou; Tingting Liu; Mengxia Mo; Yulong Shi; Leyun Wu; Yishui Li; Qiuping Qin; Weiliang Zhu; Chengkun Wu; Likun Gong; Zhijian Xu (J. Chem. Inf. Model., 2022)

Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery. - Leyun Wu; Guangpu Wang; Liping Zhou; Mengxia Mo; Yulong Shi; Bo Li; Leimiao Yin; Qiang Zhao; Yongqing Yang; Chengkun Wu; Zhijian Xu; Weiliang Zhu (Comput. Biol. Medicine, 2023)

Global Solvability and Stability of an Alarm-Taxis System. - Hai-Yang Jin; Zhi-An Wang; Leyun Wu (SIAM J. Math. Anal., 2023)

D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening. - Yulong Shi; Xinben Zhang; Yanqing Yang; Tingting Cai; Cheng Peng; Leyun Wu; Liping Zhou; Jiaxin Han; Minfei Ma; Weiliang Zhu; Zhijian Xu (Comput. Biol. Medicine, 2023)

Unexpected effect of halogenation on the water solubility of small organic compounds. - Jianfang Zhang; Kinga Virág Gulyás; Jintian Li; Minfei Ma; Liping Zhou; Leyun Wu; Ruisheng Xiong; Mate Erdelyi; Weiliang Zhu; Zhijian Xu (Comput. Biol. Medicine, 2024)

D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds. - Minfei Ma; Xinben Zhang; Liping Zhou; Zijian Han; Yulong Shi; Jintian Li; Leyun Wu; Zhijian Xu; Weiliang Zhu (J. Chem. Inf. Model., 2024)