Fig. 4: Multi-scale MD simulations of SNF assembly.
From: In-situ observation of silk nanofibril assembly via graphene plasmonic infrared sensor
a SF fragment model utilized in MD simulations. b Snapshots of SF fragment dynamics on graphene at nucleation stage (i.e., 0 μs, 0.25 μs, 0.5 μs, and 1 μs). The assembly snapshot of SF at different environment temperatures is shown in Fig. S17. The yellow, indigo, blue, and white parts represent β-sheet, turn, helix, and coil, respectively. c Snapshots of model 1 at the growth stage. Two environment temperatures (i.e., 0.8*T and T) are set. N is the average contact number. The data were collected from five repeated simulations and expressed as mean values +/− SEM.
