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posted on 2023-07-19, 17:36 authored by Christian Kenneth, Daru Seto Bagus Anugrah, Jeffry Julianus, Sendy Junedi
<p>Box plot visualisation: <b>(A)</b> the MM/GBSA calculation of the binding energy of GKRP-F1P and <b>(B)</b> GKRP-anthocyanidin from the three replicates.</p>

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    quantum chemical propertieslower rmsf valuesderived natural productsdensity functional theoryblind docking resultsdel ), cyanidinblind docking methodshowing high gkrpmolecular dynamics studymolecular docking studyindicating pelargonidin abilityhigh binding affinityf1p complex stabilitypotential gkrp inhibitorsmolecular insightsgbsa methodcya ),pivotal gkkey residuesinteracting residuesinhibitory potentialinactive conformationgk bindingalso identified

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