In many biosystems, the CD signals are not due to intrinsically chiral molecules but to the presence of excitonic interactions among different chromophoric units. As a result, CD signatures may be used to investigate the geometrical and electronic nature of the multichromophoric aggregate as well as to follow possible conformational changes in the embedding biomatrix.  In this talk, it will be shown that multiscale approaches which combine molecular dynamics, quantum chemistry and embedding models, can represent a very effective strategy to accurately simulate the CD spectra of biosystems and interpret their excitonic signatures.<br/> <br/>

Circular dichroism of multichromophoric biosystems: From structure to dynamics

255th National Meeting (2018)

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