Effects of End-Terminal Capping on Transthyretin (105–115) Amyloid Protofibrils Using Steered Molecular Dynamics

Figure 4

Time versus the number of hydrogen bond graphs: comparing mechanical strength differences between capped and uncapped models. (a) shows the comparison graph for the simulation performed using a velocity of 0.001 Å/ps, and (b) is the graph using a velocity of 0.005 Å/ps. To reduce the noise of hydrogen bonds per time graphs, we smoothed the data using a weighted moving average with over 100 ps.

(a)

(b)