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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Structural, vibrational, electronic properties, hirshfeld surface analysis topological and molecular docking studies

S Janani1,2, Hemamalini Rajagopal1,2, S Muthu3,4

  • 1Department of Physics, Queen Mary's College, Chennai, 600004, Tamilnadu, India.

Heliyon
|October 29, 2021
PubMed

Keywords:
DFTHirshfield surface analysisMolecular dockingTopology

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