Articles with "reactivity indices" as a keyword



Analyzing a series of ligands against malaria through the application of molecular docking, molecular quantum similarity, and reactivity indices

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Published in 2024 at "F1000Research"

DOI: 10.12688/f1000research.147631.1

Abstract: Background The primary goal of this research is to underscore the significance of molecular docking in the context of malaria drug discovery. Molecular docking plays a crucial role in comprehending the interactions between prospective drugs… read more here.

Keywords: molecular docking; quantum similarity; active site; reactivity indices ... See more keywords