2026

  1. 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

  2. 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

  3. 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

  4. 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