Dresden 2026 – scientific programme

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BP: Fachverband Biologische Physik

BP 2: Computational Biophysics I

BP 2.8: Talk

Monday, March 9, 2026, 11:30–11:45, BAR/0106

From Bioanalytics to Neuromorphic Computing: Graphite-Based Nanopores for Protein Sequencing and Iontronic Memristors — •Chandan K. Das and Maria Fyta — Computational Biotechnology, RWTH Aachen University, Worringerweg 3, 52074 Aachen, Germany

Protein sequencing with single amino acid resolution using ionic current signatures is a rapidly advancing technique, yet challenges persist in maintaining protein linearity and controlling their translocation through solid state nanopores. We introduce a graphite-based nanopore featuring a constriction inspired by alpha-hemolysin. All atom MD simulations show that the positively charged pore lumen promotes strong anion selectivity and drives electro-osmotic flow (EOF), which generates hydrodynamic drag opposing the electrophoretic force (EPF). Balancing these forces straightens proteins during translocation and increases their residence time within the constriction, substantially improving sequencing accuracy. This design enables detection of all 20 proteinogenic amino acids and their post-translational modifications. Beyond sequencing, the graphite-based architecture supports diverse iontronic applications. In a graphite-hydrogel-graphite nanofluidic memristor, a neutral hydrogel selectively traps cations, inducing ion concentration polarization. Simulations reveal characteristic memristive behavior, including a hysteretic current-voltage response. Overall, graphite nanopores offer a versatile platform for sequencing and neuromorphic computing.

Keywords: Nanopore; Protein Sequencing; Post Translational Modification; Nanofluidic Memristor; Molecular Dynamics Simulation