The intuitive concept of energy landscapes has been introduced by Hans Frauenfelder, in order to understand the dynamics and kinetics of proteins [1]. Here it is shown that the combination of this concept with quantum mechanical scattering theory and asymptotic analysis leads to new interpretations of quasielastic neutron scattering spectra from complex systems [2,3]. Quantum and classical interpretations are discussed and an example for the analysis of quasielastic neutron scattering spectra of free and inhibited human acetylcholine esterase with a minimalistic model is briefly discussed [4].
References:
[1] H. Frauenfelder, S. G. Sligar, and P. G. Wolynes, “The energy landscapes and motions of proteins”, Science, vol. 254, no. 5038, pp. 1598–1603, 1991.
[2] G. R. Kneller, “Franck–Condon picture of incoherent neutron scattering”, PNAS USA, vol. 115, no. 38, pp. 9450–9455, 2018.
[3] G. R. Kneller, “Asymptotic neutron scattering laws for anomalously diffusing quantum particles,” J. Chem. Phys., vol. 145, no. 4, pp. 044103–7, 2016.
[4] M. Saouessi, J. Peters, and G.R. Kneller, “Asymptotic analysis of quasielastic neutron scattering data from human Acetylcholinesterase reveals subtle dynamical changes upon ligand binding”, manuscript submitted.