Abstract
Aromatic amino-acid residues and molecular groups containing delocalized π electrons systems are important entities which are involved into particular interactions in biological systems. Due to the computational dimensions, only empirical force fields can be used at the present time to study the dynamical properties of peptides or proteins. However, for the delocalized π electron systems, electronic exchanges and correlation effects have to be taken into account and one can then follow the changes in the dynamical properties (harmonic dynamics, molecular dynamics) induced by these effects.
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