Usability of an Input Modality for AR

Brice, Daniel; Rafferty, Karen; McLoone, Seán

doi:10.1007/978-3-030-58465-8_19

Cited by 2 publications

(1 citation statement)

References 19 publications

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“…Early AA simulations captured insertion of the fusion peptide into a PC bilayer, resulting in membrane thinning near the peptide. 655,656 Later simulations revealed consistent peptideinduced membrane perturbation and provided further details of pH-dependence of its membrane association, 657 aggregation behavior, 658 conformational dynamics, 659,660 and mutation effect. 661,662 Notably, HMMM simulations captured its spontaneous membrane insertion 179 and CG simulations demonstrated how a bundle of hemagglutinin fusion peptides could stabilize a hypothetical pre-fusion structure.…”

Section: 638mentioning

confidence: 72%

Characterization of Lipid–Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation

et al. 2019

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The cellular membrane constitutes one of the most fundamental compartments of a living cell, where key processes such as selective transport of material and exchange of information between the cell and its environment are mediated by proteins that are closely associated with the membrane. The heterogeneity of lipid composition of biological membranes and the effect of lipid molecules on the structure, dynamics, and function of membrane proteins are now widely recognized. Characterization of these functionally important lipid-protein interactions with experimental techniques is however still prohibitively challenging. Molecular dynamics (MD) simulations offer a powerful complementary approach with sufficient temporal and spatial resolutions to gain atomic-level structural information and energetics on lipid-protein interactions. In this review, we aim to provide a broad survey of MD simulations focusing on exploring lipidprotein interactions and characterizing lipid-modulated protein structure and dynamics that have been successful in providing novel insight into the mechanism of membrane protein function.

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