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AI for cancer drug discovery
Machine learning applied to therapeutic discovery for solid tumours that have resisted everything else.
PopVax · Hyderabad · Jun 2026 – present
Machine learning for cancer therapeutics, from target to designed molecule, working toward treatment tailored to the individual patient.
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Machine learning applied to therapeutic discovery for solid tumours that have resisted everything else.
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Frontier generative models that design molecules from scratch rather than searching a catalogue, with the pipelines around them for screening and for finding what is worth targeting.
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AI driven drug discovery and de novo protein design, working toward therapies tailored to the individual patient.
The molecule above is a peptide–MHC class I complex, built from PDB 3MRP: an HLA-A*0201 heavy chain (chain A, 275 residues) and β2-microglobulin (chain B, 100 residues) drawn as cartoon ribbons, holding up a ten-residue tumour-antigen fragment (chain P) in ball-and-stick. It is the interface a T cell reads when it decides whether a cell is healthy, and the interface a cancer immunotherapy has to design against.
Ribbons are splined through the Cα trace with helices and β-strands taken from the deposited secondary structure records; waters are omitted. Geometry was tessellated offline, packed into a single glTF binary with three named nodes, and meshopt-compressed to about 265 KB, fetched only when the section comes into view.
Structure data: RCSB PDB 3MRP · 10.2210/pdb3mrp/pdb