Publications

Publications

  1. Yunsen Zhang, Chenyu Lin, Zhongmin Zhao, Zheng Wu, Hao Zhong, Nannan Wang, Tianshu Lu, Huanle Xu and Defang Ouyang*. FormulationMM: a universal computer-driven drug formulation platform. (Under Review)

Background Publications

ps: Background publications are the publications that are not directly related to the FormulationMM platform, but they are important for the development of the platform. We did not copy any existed computational data from these publications to FormulationMM original paper.
  1. 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.
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.
  7. 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.
  8. 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.
  9. 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.
  10. 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.
  11. 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.
  12. 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.
  13. 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.
  14. 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.
  15. Ouyang, Defang. "Investigating the molecular structures of solid dispersions by the simulated annealing method." Chemical Physics Letters 554 (2012): 177-184.
  16. 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.