Author

Yash Bhargava

2 papers indexed here

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Open access Sep 2026

Retrieval of binding sites across the AlphaFold human proteome using protein language model representations

PocketScope is a training-free framework that represents cavity-lining residues using frozen ESM-C 600M embeddings and retrieves related binding sites through exhaustive lateinteraction MaxSim, without pooling or approximate nearest-neighbor search.

Keshav Mohan, Yash Bhargava · bioRxiv · 0 citations

Open access Aug 2026

NDST1 as a substrate-reduction target in Mucopolysaccharidosis type IIIC: virtual screening, microsecond molecular dynamics, and peptide design

A structure-based computational pipeline was used to identify and evaluate inhibitors targeting the NDST1 sulfotransferase domain, and four chemically distinct small-molecule scaffolds and three peptide candidates were identified as stable binders to the NDST1 active site.

Keshav Mohan, Y. Bhargava · bioRxiv · 0 citations