Fig. 4: Analysis of MBD exciton modes for the human protein 1MC5. | Nature Communications

Fig. 4: Analysis of MBD exciton modes for the human protein 1MC5.

From: Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model

Fig. 4

The MBD excitation spectrum is reported together with the overall dipole moment (absolute value) characterzing each excitation mode. Non-covalent optical-vdW forces (illustrated as red arrows) are reported for select excitation modes (ad), indicated in the spectrum by green vertical lines. The position of the potassium site close to the protein center is indicated with a magenta sphere. Relatively localized dynamics are associated to low-frequency excitations, whereas remarkably collective forces are found at higher frequencies.

Back to article page