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12 results on '"A. LETTY"'

6. Study of Ultra-Fast Rhodopsin Activation Dynamics with Molecular Dynamics Simulations

Author

Salas, Letty, primary, Mendez, Derek, additional, Meza-Aguilar, José Domingo, additional, Perera, Suchithranga M.D.C., additional, Singharoy, Abhishek, additional, Struts, Andrey V., additional, Zatsepin, Nadia A., additional, Kirian, Richard A., additional, Grant, Thomas D., additional, Fromme, Petra, additional, Brown, Michael F., additional, and Grossfield, Alan, additional

Published
2019
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7. Study of Ultra-Fast Rhodopsin Activation Dynamics with Molecular Dynamics Simulations

Author

Richard A. Kirian, Alan Grossfield, Letty Salas, Petra Fromme, Thomas D. Grant, Nadia A. Zatsepin, Michael F. Brown, Derek Mendez, Abhishek Singharoy, Jose Domingo Meza-Aguilar, Andrey V. Struts, and Suchithranga M. D. C. Perera

Subjects
Molecular dynamics, Materials science, biology, Chemical physics, Rhodopsin, Dynamics (mechanics), Biophysics, biology.protein, Ultra fast
Published
2019
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11. Understanding the Effect of Polyunsaturated Fatty Acids on Rhodopsin using All-Atom Molecular Dynamics Simulations

Author

Alan Grossfield, Nicholas Leioatts, Tod D. Romo, and Letty Salas

Subjects
chemistry.chemical_classification, biology, G protein, Biophysics, Molecular dynamics, Membrane protein, chemistry, Rhodopsin, biology.protein, Signal transduction, Lipid bilayer, Polyunsaturated fatty acid, G protein-coupled receptor
Abstract

G protein-coupled receptors (GPCRs) are membrane proteins that can transduce external stimuli across lipid bilayers via conformational changes, which tune intermolecular interactions with their cognate G protein. This mechanism and their involvement in the mediation of many signaling pathways make them important drug targets. The functional versatility of these receptors is thought to be governed by their dynamics and conformational plasticity, which can be modulated by several factors including the membrane surrounding them. Here, we analyze microsecond-scale all-atom molecular dynamics simulations of rhodopsin (∼150 μs in aggregate) to investigate how the conformational dynamics of this prototypical GPCR can be modulated by its lipid environment. We observe that polyunsaturated fatty acids interact differently with active and inactive ensembles of the receptor and thus may play a role in stabilzing different protein states.

Published
2016
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