Figure 3.

Micelle-αS complex formation during coarse-grained molecular dynamics simulations. (a-c) Spontaneous self-association of randomly distributed detergent molecules around (a) αS^SDS_NC, (b) αS^SLAS_CN and (c) αS^SLAS_NC. (d–f) Complex formation of (d) αS^SDS_NC, (e) αS^SLAS_CN and (f) αS^SLAS_NC with pre-equilibrated M1 micelles (Figure S1). All protein geometrical restraints were released at 100 and 200 ns for SDS and SLAS, respectively.