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This paper presents a novel approach to address <i>noise, vibration, and harshness (NVH)</i> issues in electrically assisted bicycles (e-bikes) caused by the drive unit. By investigating and optimising the structural dynamics during early product development, <i>NVH</i> can decisively be improved and valuable resources can be saved, emphasising its significance for enhancing riding performance. The paper offers a comprehensive analysis of the e-bike drive unit’s mechanical interactions among relevant components, culminating—to the best of our knowledge—in the development of the first high-fidelity model of an entire e-bike drive unit. The proposed model uses the principles of <i>elastic multi body dynamics (eMBD)</i> to elucidate the structural dynamics in dynamic-transient calculations. Comparing power spectra between measured and simulated motion variables validates the chosen model assumptions. The measurements of physical samples utilise accelerometers, contactless <i>laser Doppler vibrometry (LDV)</i> and various test arrangements, which are replicated in simulations and provide accessibility to measure vibrations onto rotating shafts and stationary structures. In summary, this integrated system-level approach can serve as a viable starting point for comprehending and managing the <i>NVH</i> behaviour of e-bikes.