Tracking conformational dynamics of polypeptides by nonlinear electronic spectroscopy of aromatic residues: a first-principles simulation study.

Abstract

The ability of nonlinear electronic spectroscopy to track folding/unfolding processes of proteins in solution by monitoring aromatic interactions is investigated by first-principles simulations of two-dimensional (2D) electronic spectra of a model peptide. A dominant reaction pathway approach is employed to determine the unfolding pathway of a tetrapeptide… (More)
DOI: 10.1002/cphc.201402374

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@article{Nenov2014TrackingCD, title={Tracking conformational dynamics of polypeptides by nonlinear electronic spectroscopy of aromatic residues: a first-principles simulation study.}, author={Artur Nenov and Silvio a Beccara and Ivan Rivalta and Giulio Cerullo and Shaul Mukamel and Marco Garavelli}, journal={Chemphyschem : a European journal of chemical physics and physical chemistry}, year={2014}, volume={15 15}, pages={3282-90} }