Program: PhD Track: Medicinal Chemistry Advisor: Xiang-Qun (Sean) Xie, PhD, EMBA
PhD Student in Pharmaceutical Science
Bian, Y., Xie, X. Q., et al. Deep convolutional generative adversarial network (dcGAN) models for the de novo design of small molecules targeting cannabinoid receptors. Molecular Pharmaceutics (2019) Under review.
Bian, Y., Xie, X. Q., et al. Prediction of orthosteric and allosteric regulations on cannabinoid receptors using supervised machine learning classifiers. Molecular Pharmaceutics (2019) Article ASAP.
Bian, Y., Xie, X. Q., et al. Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation. Acta Pharmacologica Sinica, 40.3 (2019): 374.
Bian, Y., Xie, X. Q. Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications. The AAPS Journal, 2018, 20(3): 59.
Bian, Y., Xie, X. Q., et al. Integrated in silico fragment-based drug design: case study with allosteric modulators on metabotropic glutamate receptor 5. The AAPS Journal, 2017, 19(4): 1235-1248.
Ge, H., Bian, Y. (co-first author), Xie, X. Q., et al. Significantly Different Effects of Tetrahydroberberrubine Enantiomers on Dopamine D1/D2 Receptors Revealed by Experimental Study and Integrated in silico Simulation. Journal of Computer-Aided Molecular Design, 2019, 1-13.
Jing, Y., Bian, Y., Xie, X. Q., et al. Deep learning for drug design: An artificial intelligence paradigm for drug discovery in the big data era. The AAPS Journal, 2018, 20(3), p.58.
Zhu, X., Zhou, J., Zhu, Y., Hu, X., Bian, Y., Huang, W., et al. Synthesis and Biological Activities of Sulfinyl Acetamide Derivatives for Narcolepsy Treatment. Letters in Drug Design & Discovery 10.3 (2013): 266-270.
Speeches and Posters
Yuemin Bian “Chemogenomics-knowledge based systems pharmacology analysis and integrated in silico simulation on cannabidiol (CBD)” Speech on Chemistry & Pharmacology of Drug Abuse, Boston, United States, 2018
Yuemin Bian “Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5” Speech on Graduate Student Seminar, Pittsburgh, United States, 2017
Yuemin Bian et al. “The effects and mechanism of α-mangostin derivatives on the Alzheimer’s disease model of rat: a combination of experimental study and computational systems pharmacology analysis” Poster on Science 2018, Pittsburgh, United States, 2018
Yuemin Bian et al. “Computational Chemogenomics-based Targets Identification and Protein Binding Modes Analysis for Cannabidiol” Poster on Science 2017, Pittsburgh, United States, 2017
Yuemin Bian “Fragment-based Discovery of Allosteric Modulators on Metabotropic Glutamate Receptor 5” Poster on Pharmaceutical Science World Congress, Stockholm, Sweden, 2017
Yuemin Bian et al. “Cloud Computing and Diseases Domain-Specific Chemogenomics Knowledgebases for Systems Pharmacotherapy and Personalized Medicine” Poster on 2016 Posters, Professors, and Progress, Pittsburgh, United States, 2016
Yuemin Bian et al. “The Discovery of Allosteric Modulators on Metabotropic Glutamate Receptor 5 with Computational Fragment-Based Approach” Poster on Science 2016 Game Changer, Pittsburgh, United States, 2016
Yuemin is doing drug discovery with machine learning techniques and computational chemistry approaches. He is working on building an artificial intelligence integrated fragment-based drug design platform.