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Preprint
PaperAtlas: an automatically constructed atlas of computational methods and software from 6.4 million open-access articles
Shah, N., Vippagunta, A., Bhargava, Y.
arXiv · DOI: 10.48550/arXiv.2609.28275 · Sep 23, 2026 · Online · Repository · Code · Web server
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Preprint
Retrieval of binding sites across the AlphaFold human proteome using protein language model representations
Mohan, K., Bhargava, Y.
bioRxiv · DOI: 10.64898/2026.08.30.748136 · Sep 3, 2026 · Online · Repository · Code · Web server
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Preprint
In silico targeting of Calpain-5 in autosomal dominant neovascular inflammatory vitreoretinopathy (ADNIV) with peptides and natural products
Garimella, S. C., Bhargava, Y.
bioRxiv · DOI: 10.64898/2026.08.11.744189 · Aug 11, 2026 · Online · Repository
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Preprint
NDST1 as a substrate-reduction target in Mucopolysaccharidosis type IIIC: virtual screening, microsecond molecular dynamics, and peptide design
Mohan, K., Bhargava, Y.
bioRxiv · DOI: 10.64898/2026.08.09.743834 · Aug 11, 2026 · Online · Repository
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Preprint
Dynamics of the α2-chimaerin–Rac1 interface in Duane retraction syndrome and computational design of candidate probes
Shah, A., Bhargava, Y.
bioRxiv · DOI: 10.64898/2026.07.29.741529 · Jul 29, 2026 · Online · Repository
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Poster
LigandScope: Pocket representations and a structural dataset for predicting ligand specificity
Bhargava, Y., Mohan, K., Mirza, W.
ACS Fall 2026 · Abstract ID 4540348 · Aug 25, 2026 · Online
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Oral presentation
Generative design of immunogenic peptide candidates via structural modeling
Huang, S., Zhou, J., Bhargava, Y.
ACS Fall 2026 · Abstract ID 4524208 · Aug 25, 2026 · Online
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Poster
Targeting Calpain-5 with computational design of peptide and small-molecule inhibitors for autosomal dominant neovascular inflammatory vitreoretinopathy
Garimella, S. C., Bhargava, Y.
ACS Fall 2026 · Abstract ID 4528912 · Aug 25, 2026 · Online
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Poster
Computational discovery and design of NDST1 sulfotransferase small molecule and peptide inhibitors to reduce heparan sulfate accumulation in Mucopolysaccharidosis IIIC
Mohan, K., Bhargava, Y.
ACS Fall 2026 · Abstract ID 4528545 · Aug 25, 2026 · Online
