[Abstract - Photonic Boson-Sampling Simulation-Based Interface Analysis of the HER2–Trastuzumab Complex for ADC Research: A Feasibility Study]

2026 대한의용생체공학회 춘계학술대회 초록 의료인공지능분과 오성일_20260402.pdf

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The Korean Society of Medical&Biological and Engineering Spring 2026 Abstract Submission: Photonic Boson Sampling for ADC Interface Analysis

I submitted an abstract to the 2026 Spring Conference of the Korean Society of Medical and Biological Engineering (KOSOMBE). The subject: photonic Boson Sampling simulation-based interface analysis of the HER2-Trastuzumab complex for ADC research.

Background

At the 2025 Autumn Conference, I presented DockMaster-SONGDO — an LLM-based protein structure preprocessing platform — and received the Best Poster Award. That work implemented Level 0 (Classical Baseline) of the Three-Level Quantum Adoption Framework I had proposed. This time, I implemented Level 2 (Quantum-Optional Hybrid) of the same framework.

What I Did

I modeled the 22-residue contact network of the HER2-Trastuzumab binding interface (PDB: 1N8Z) as a 12-mode photonic circuit and ran 4-photon Boson Sampling using Quandela's Perceval framework. To my knowledge, no prior work has applied photonic Boson Sampling to antibody-antigen interface analysis.

Key Results

The quantum method identified ILE591 and ASP560 as top hotspots. ASP560 is independently confirmed as a critical binding residue within the trastuzumab epitope Loop 1 by Cho et al. (2003, Nature). The Pearson correlation with classical contact-frequency rankings was r = 0.474 — moderate, which is actually the point. It means the quantum method partially agrees with classical approaches while capturing additional structural signals that contact frequency alone misses. I defined this region as the "Quantum Discovery Zone."

Why It Matters

ADCs are at the center of Korean biopharma strategy. Samsung Biologics, Celltrion, and ABL Bio are all investing heavily in ADC pipelines. Precisely identifying hotspot residues at antibody-antigen interfaces is the starting point for ADC design optimization. This study demonstrates, at a feasibility level, that photonic quantum computing can offer a new analytical tool in this space.

What's Next

The current work is emulator-based. Quandela's BELENOS (12-qubit photonic QPU) is already accessible on the cloud. The next step is running the same 12-mode circuit on real photonic hardware and comparing the results. The target: present the emulator-vs-QPU validation at the KOSOMBE Autumn 2026 Conference.