Compared to experimental data showing the percent change in aggregates detected by size‑exclusion chromatography after 3 months of storage at 40°C (Figure8.3g), we see that the all‑atom simulations are strongly predictive of aggregation. In the case of trastu‑ zumab, a tight transition to less soluble states is seen from ~480–500 K; these simula‑ tions suggest trastuzumab contains a stable Fv that should only begin to lose solubility at high temperatures, consistent with the experimental data showing that trastuzumab indeed has effectively zero aggregation change over a 3‑month period. In contrast, beva‑ cizumab has a broad solubility transition from ~400 to 470 K, and in size‑exclusion chromatography experiments was found to have a ~3% increase in aggregation over 3 months. These results are consistent with analyses showing that the proportion of trastuzumab in a β‑sheet conformation in the all‑atom simulations is effectively con‑ stant at 0.45 until 500 K, when it transitions sharply to an unfolded state by 525 K. Bevacizumab, in contrast, begins to lose its secondary structure at around 400 K and unfolds partially over the course of over 100 K before losing all structure by 525 K.