Yao, Xiaojun

Comprehensive Evaluation of Ten Docking Programs on a Diverse Set of Protein-Ligand Complexes: The Prediction Accuracy of Sampling Power and Scoring Power

Wang, Z., Sun, H., Yao, X., Li, D., Xu, L., Li, Y., Tian, S., & Hou, T. (2016) · Physical Chemistry Chemical Physics

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 946

Ginseng polysaccharides alter the gut microbiota and kynurenine/tryptophan ratio, potentiating the antitumour effect of antiprogrammed cell death 1/programmed cell death ligand 1 (anti-PD-1/PD-L1) immunotherapy

Huang, J., Liu, D., Wang, Y., Liu, L., Li, J., Yuan, J., Jiang, Z., Jiang, Z., Hsiao, W. W., Liu, H., et al. (2022) · Gut

Cancer Immunotherapy and BiomarkersGut microbiota and health

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Application advances of deep learning methods for de novo drug design and molecular dynamics simulation

Bai, Q., Liu, S., Tian, Y., Xu, T., Banegas‐Luna, A. J., Pérez‐Sánchez, H., Huang, J., Liu, H., & Yao, X. (2022) · WIREs Computational Molecular Science

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 156

Characteristic roadmap of linker governs the rational design of PROTACs

Dong, Y., Ma, T., Xu, T., Feng, Z., Li, Y., Song, L., Yao, X., Ashby, C. R., & Hao, G.-F. (2024) · Acta Pharmaceutica Sinica B

Protein Degradation and InhibitorsChemical Synthesis and Analysis

Cited by 146

RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design

Wang, M., Hsieh, C.-Y., Wang, J., Wang, D., Weng, G., Shen, C., Yao, X., Bing, Z., Li, H., Cao, D., et al. (2022) · Journal of Medicinal Chemistry

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 99