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Author

Raju Das

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2 papers indexed here

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Sep 2026

Integrative docking and molecular dynamics identify potential allosteric modulators of AKT1.

Competitive docking against the allosteric sites of AKT2 and AKT3 revealed a consistent preference for AKT1 across all three compounds, with a magnitude closely comparable to that of the reference allosteric ligand Inhibitor VIII, whose experimentally determined isoform rank order the protocol reproduced.

Raju Das, Armin Sultana, Kantu Das et al. · 0 citations
Aug 2026

Dual-site TAS2R14 binding by (-)-epicatechin gallate: A computational framework for neuroprotective drug repurposing.

Bitter taste receptors, particularly TAS2R14, are widely expressed in extraoral tissues, including the central nervous system, where they have been implicated in neuroinflammatory and neurodegenerative processes. Although numerous pharmacological and natural compounds have demonstrated therapeutic potential against neu...

Armin Sultana, Raju Das, Joohan Woo · 0 citations

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