張倩倩 Zhang Qianqian



電話:(853) 8599 6876




2017-2022: 蘭州大學藥學院  藥物化學生物學博士
2013-2017: 河南師範大學化學化工學院  製藥工程專業學士

2023-至今: 講師,澳門理工大學


  • 分子動力學模擬探索分子水準的耐藥機制
  • 增強採樣分子動力學模擬探索大分子構象轉變機制
  • 基於結構/配體的虛擬篩選和藥物設計


  1. Zhao N#, Zhang Q#, Yu F, Yao X, Liu H. The α-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of α-Synuclein Fibrils with Different Polymorphs. Biomolecules. 2023, 13:682. (#Co-first author, IF=6.064)
  2. Zhang Q, Han J, Zhu Y, Tan SY, Liu H. Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Deriva-tives as the Direct InhA Inhibitors and the Hotspot Residues of InhA. International Journal of Molecular Sciences, 2022, 23:10102. (IF=6.208)
  3. Zhou Y#, Liu H#, Song Y#, Zhang Q#, Kan Y, Tang X, Xiao Q, Xiang Q, Liu H, Luo Y, Bao R. Structural and dynamics studies of the SpCas9 variant provide insights into the regulatory role of the REC1 domain. ACS Catalysis, 2022, 12:8687-8697. (#Co-first author, IF= 13.700)
  4. Zhang Q, Zhao N, Meng X, Yu F, Yao X, Liu H. The prediction of protein-ligand unbinding for modern drug discovery. Expert Opinion on Drug Discovery, 2022, 17:191-205. (IF= 7.050)
  5. Zhang Q, Yang Y, Gong X, Zhao N, Zhang Y, Liu H. Thermodynamic Integration Combined with Molecular Dynamic Simulations to Explore the Cross-Resistance Mechanism of Isoniazid and Ethionamide. Proteins, 2022, 90:1142-1151. (IF=4.088)
  6. Zhao N#, Zhang Q#, Zhao C, Liu L, Li T, Li C, He L, Zhu Y, Song Y, Liu H, Bao R. Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element. Biochimica et Biophysica Acta-General Subjects, 2021, 1865:129756. (#Co-first author, IF= 4.117)
  7. Zhang Q, Tan S, Xiao T, Liu H L, Shah SJA, Liu H X. Probing the Molecular Mechanism of Rifampin Resistance Caused by the Point Mutations S456L and D441V on Mycobacterium tuberculosis RNA Polymerase through Gaussian Accelerated Molecular Dynamics Simulation. Antimicrobial Agents and Chemotherapy, 2020, 64:e02476-19. (IF=5.938)
  8. Zhang Q, An X, Liu H L, Wang S, Xiao T, Liu H X. Uncovering the Resistance Mechanism of Mycobacterium tuberculosis to Rifampicin Due to RNA Polymerase H451D/Y/R Mutations From Computational Perspective. Frontiers in Chemistry, 2019, 7:819. (IF= 5.545)
  9. Tian J#, Zhang Q#, An X, Liu H L, Liu Y, Liu H X. Molecular Dynamics Simulations Study on the Resistant Mechanism of Insects to Imidacloprid due to Y151-S and R81T Mutations in nAChRs. Molecular Informatics, 2019, 38:e1800125. (#Co-first author, IF=4.050)
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