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标题:Structural dynamics and susceptibility of anti-HIV drugs against HBV reverse transcriptase
时间:2021-04-06 19:09:10
DOI:10.1080/07391102.2020.1751715
大小:2933 kb
页数:12 PAGES
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目录:
  • Abstract
    • Introduction
    • Material and methods
      • Homology modeling, system preparation, and ligand optimization
      • Molecular dynamics (MD) simulations
      • Temperature replica exchange molecular dynamics (T-REMD)
    • Results and discussion
      • System stability of global structure
      • Key binding and ligand-protein interactions
      • Ligand topology
      • Binding affinity of anti-HIV drugs against HBV-RT
    • Conclusions
    • Acknowledgements
    • Disclosure statement
    • References

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