Publications

Publications

  1. Yunsen Zhang, Chenyu Lin, Zhongmin Zhao, and Defang Ouyang*. FormulationMM: A state-of-the-art computational platform to lead the computer-driven drug formulation (submitted)
  2. Han, Run, Zhuyifan Ye, Yunsen Zhang, Yaxin Cheng, Ying Zheng, and Defang Ouyang*. "Predicting liposome formulations by the integrated machine learning and molecular modeling approaches." Asian Journal of Pharmaceutical Sciences 18, no. 3 (2023): 100811.
  3. Wang, Nannan, Yunsen Zhang, Wei Wang, Zhuyifan Ye, Hongyu Chen, Guanghui Hu, and Defang Ouyang*. "How can machine learning and multiscale modeling benefit ocular drug development?." Advanced Drug Delivery Reviews (2023): 114772.
  4. Li, Junjun, Hanlu Gao, Zhuyifan Ye, Jiayin Deng, and Defang Ouyang*. "In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques." Carbohydrate Polymers 275 (2022): 118712.
  5. Gao, Hanlu, Wei Wang, Jie Dong, Zhuyifan Ye, and Defang Ouyang*. "An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design." European Journal of Pharmaceutics and Biopharmaceutics 158 (2021): 336-346.
  6. Gao, Haoshi, Haoyue Jia, Jie Dong, Xinggang Yang, Haifeng Li, and Defang Ouyang*. "Integrated in silico formulation design of self-emulsifying drug delivery systems." Acta Pharmaceutica Sinica B 11, no. 11 (2021): 3585-3594.
  7. Wang, Wei, Zhuyifan Ye, Hanlu Gao, and Defang Ouyang*. "Computational pharmaceutics-A new paradigm of drug delivery." Journal of Controlled Release 338 (2021): 119-136.
  8. Han, Run, Tianhe Huang, Xinyang Liu, Xunqing Yin, Haifeng Li, Jiahong Lu, Yuanhui Ji, Huimin Sun, and Defang Ouyang*. "Insight into the dissolution molecular mechanism of ternary solid dispersions by combined experiments and molecular simulations." AAPS PharmSciTech 20, no. 7 (2019): 274.
  9. Han, Run, Hui Xiong, Zhuyifan Ye, Yilong Yang, Tianhe Huang, Qiufang Jing, Jiahong Lu, Hao Pan, Fuzheng Ren, and Defang Ouyang*. "Predicting physical stability of solid dispersions by machine learning techniques." Journal of Controlled Release 311 (2019): 16-25.
  10. Huang, Tianhe, Qianqian Zhao, Yan Su, and Defang Ouyang*. "Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches." Asian Journal of Pharmaceutical Sciences 14, no. 6 (2019): 609-620.
  11. Zhao, Qianqian, Zhuyifan Ye, Yan Su, and Defang Ouyang*. "Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques." Acta Pharmaceutica Sinica B 9, no. 6 (2019): 1241-1252.
  12. Chan, TengIan, and Defang Ouyang*. "Investigating the molecular dissolution process of binary solid dispersions by molecular dynamics simulations." asian journal of pharmaceutical sciences 13, no. 3 (2018): 248-254.
  13. Chen, Weijie, and Defang Ouyang*. "Investigation of molecular dissolution mechanism of ketoprofen binary and ternary solid dispersions by molecular dynamics simulations." Molecular Simulation 43, no. 13-16 (2017): 1074-1080.
  14. Zhao, Qianqian, Weixiang Zhang, Runmiao Wang, Yitao Wang, and Defang Ouyang*. "Research advances in molecular modeling in cyclodextrins." Current Pharmaceutical Design 23, no. 3 (2017): 522-531.
  15. Wang, Runmiao, Hui Zhou, Shirley WI Siu, Yong Gan, Yitao Wang, and Defang Ouyang*. "Comparison of three molecular simulation approaches for cyclodextrin-ibuprofen complexation." Journal of Nanomaterials 16, no. 1 (2015): 267-267.
  16. Ouyang, Defang. "Investigating the molecular structures of solid dispersions by the simulated annealing method." Chemical Physics Letters 554 (2012): 177-184.
  17. Ouyang, Defang, Hong Zhang, Harendra S. Parekh, and Sean C. Smith. "The effect of pH on PAMAM dendrimer–siRNA complexation—Endosomal considerations as determined by molecular dynamics simulation." Biophysical Chemistry 158, no. 2-3 (2011): 126-133.