Figure 2

The time evolution of the secondary structure of ubiquitin in (a) ubiquitin in pure water at 300 K (S1), (b) ubiquitin in pure water at 370 K (S2), (c) ubiquitin in aqueous SDS solution at 300 K (S3), and (d) ubiquitin in aqueous SDS solution at 370 K (S4), (e) ubiquitin in aqueous SDS solution at 300 K (reduced partial atomic charges, S5), (f) ubiquitin in aqueous SDS solution at 370 K (reduced partial atomic charges, S6).