A molecular dynamics simulation is used to explore the conformational dynamics of tryptophan. The simulations imply a substantial time scale separation for motion around the χ1 or χ2 bonds. We propose a model for tryptophan non-exponential fluorescence decay in terms of two χ2 conformers each consisting of equilibrium distributions (on the fluorescence time scale) of χ1 conformers.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry