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Center for Nonlinear Studies |
The intuitive concept of energy landscapes, which has been introduced to protein physics by Hans Frauenfelder [1], is interpreted from a neutron scattering perspective and connected to trajectory-based interpretations of neutron scattering spectra in the scenarios of quantum and classical mechanics [2,3]. It is shown that the energy landscape approach for complex systems leads to new qualitative and quantitative interpretations of quasielastic neutron scattering spectra in terms of “minimalistic models” and a first example is presented for the analysis of quasielastic neutron scattering spectra of free and inhibited human acetylcholine [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. Kneller, “Neutron scattering from classical systems: Stationary phase approximation of the scattering law,” Mol. Phys., vol. 83, no. 1, pp. 63–87, 1994. [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,” J. Chem. Phys., vol. 150, pp. 161104-9, 2019.
Host: Paul Fenimore