Wageesha Widuranga

LLMsFold designs and validates new small molecules targeting pathogenic proteins using LLMs and biophysical simulations, showing strong in silico binding and drug-like profiles.

The paper analyzes genome composition across vertebrates and invertebrates to show that CpG depletion defines a compositional axis, with AG/CT as its strongest marker, not the direct mutational product TpG/CpA.