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Akanksha Arun

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Open access Oct 2026

RePurpose: An LLM-Assisted, Source-Traceable Drug Repurposing Tool with Retrospective Validation on Clemastine in Multiple Sclerosis

Summary Thus far, evidence for drug repurposing is contained in target-, drug-, trial-, and literature-based data sources that are challenging to synthesize for non-specialists. Here, we introduce RePurpose, a web-based tool that takes as input a topic written in plain language and returns candidate drugs built from da...

Nitin Nayagam, Akanksha Arun · 0 citations
Open access Aug 2026

Morpheus-3D: Structural Diversity-Guided Detection and Localization of Protein Fold Switching

Morpheus-3D is presented, a sequence-based framework that quantifies residue-level tertiary structural diversity using entropy profiles derived from the Foldseek 3Di structural alphabet and provides a scalable framework for discovering metamorphic proteins and investigating the origins, mechanisms, and evolution of str...

Sreeharsh Kuniyil, Vijay Subramanian, Akanksha Arun et al. · 0 citations
Open access Aug 2026

A programmable lipid-triggered allosteric site modulates LC3 LIR receptor binding activity

It is uncovered that membrane binding triggers a major conformational transition in LC3, exposing functional pockets that are occluded in its cytosolic form and can be engineered to precisely tune LC3-LIR interactions, offering a new strategy to regulate selective autophagy.

Deepanshi Gahlot, Jesu Castin, S. Mathur et al. · 0 citations

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