BPS2026 – Modeling of aptamer-nanoparticle biointerfaces for immunodiagnostics

Multiscale computational modeling provides powerful insights into the molecular biophysics underlying immune recognition at engineered biointerfaces.[1,2] In this talk, I will present an integrated computational-experimental framework for designing and optimizing functionalized nanomaterials that interface with immune-relevant proteins. Particular focus will be given to DNA aptamer-based strategies for viral antigen detection, where computational predictions of aptamer folding and protein binding are coupled with surface functionalization strategies to enhance biosensor stability and sensitivity.[3,4] Beyond viral diagnostics, I will highlight the design of biofunctionalized nanomaterials for antibacterial defense and therapeutic applications relevant to cancer immunology.[5] By highlighting how surface modifications modulate biomolecular recognition, the talk provides molecular-level design principles for improving immunodiagnostics and immune-modulating nanomaterials. These advances bridge computation and experiment to support next-generation biosensors and nanomedicine platforms, contributing to immune monitoring, infectious disease detection, and translational strategies in immunotherapy.