SEARCH

SEARCH BY CITATION

Keywords:

  • conformation analysis;
  • folding;
  • macromolecules;
  • molecular dynamics;
  • photoisomerization
Thumbnail image of graphical abstract

Simulations on photoswitching of an azobenzene-functionalized helical mPE foldamer (see picture) reveal several distinct non-covalent reaction channels. It is expected that distinct products can be selectively (de)stabilized by attaching suitable side chains to the backbone. The methodology presented could be applied to study photoinduced manipulation of AB-functionalized proteins.