Niu Huang, Ph.D.

Affiliations: 
2007- NIBS, Beijing 
Area:
Computer-aided Drug Design, Computational Chemistry
Website:
http://www.huanglab.org.cn/
Google:
"Niu Huang"
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Parents

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Alex MacKerell grad student 1998-2003
Matthew P. Jacobson post-doc
Brian K. Shoichet post-doc

Children

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Guoming Gao research assistant 2015-2015 (Physics Tree)
Zhao Chen grad student
Jincai Yang grad student
Tienan Zhang grad student NIBS (Beijing, China)
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Publications

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Sun W, Xie Y, Xia Q, et al. (2025) Structure-Based Optimization of TBK1 Inhibitors. Acs Medicinal Chemistry Letters. 16: 611-616
Wang Q, Fu X, Yan Y, et al. (2024) Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid Receptors. Journal of Chemical Information and Modeling
Li X, Shen C, Zhu H, et al. (2024) A High-Quality Data Set of Protein-Ligand Binding Interactions Via Comparative Complex Structure Modeling. Journal of Chemical Information and Modeling
Nie Y, Qiu Z, Chen S, et al. (2023) Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G signaling. Nature Communications. 14: 5901
Wang Q, Meng F, Xie Y, et al. (2023) In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Central Science. 9: 252-265
Zhu H, Zhang Y, Li W, et al. (2022) A Comprehensive Survey of Prospective Structure-Based Virtual Screening for Early Drug Discovery in the Past Fifteen Years. International Journal of Molecular Sciences. 23
Xu M, Shen C, Yang J, et al. (2022) Systematic Investigation of Docking Failures in Large-Scale Structure-Based Virtual Screening. Acs Omega. 7: 39417-39428
Zhu H, Yang J, Huang N. (2022) Assessment of the Generalization Abilities of Machine-Learning Scoring Functions for Structure-Based Virtual Screening. Journal of Chemical Information and Modeling
Teng X, Chen S, Wang Q, et al. (2022) Structural insights into G protein activation by D1 dopamine receptor. Science Advances. 8: eabo4158
Chen J, Liu N, Huang Y, et al. (2021) Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells. Nature Communications. 12: 6204
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