Fig. 9. Molecular dynamics (MD) derived results for a free or DNA-bound Cy molecule in solution assuming different water models. (A) Computed transients in the fluorescence anisotropy. (B) MD-derived diffusion constants and relaxation times compared with experimental values. Reproduced with permission from ref. 113 Copyright 2020 American Chemical Society. MD-derived histories for the spacing (C) and dipole orientation factor (D) of the nearest-neighbor dye pairs in a linear DNA construct labeled with four dyes, see Fig. 22 for a schematic of the structure. Reproduced with permission from ref. 173 Copyright, 2021, John Wiley & Sons.