Search Results - "Ayton, S"

Unblinded by the light: amyloid‐related imaging abnormalities in Alzheimer’s clinical trials by Gleason, A., Ayton, S., Bush, A. I.

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Tau-mediated iron export prevents ferroptotic damage after ischemic stroke by Tuo, Q-z, Lei, P, Jackman, K A, Li, X-l, Xiong, H, Li, X-l, Liuyang, Z-y, Roisman, L, Zhang, S-t, Ayton, S, Wang, Q, Crouch, P J, Ganio, K, Wang, X-c, Pei, L, Adlard, P A, Lu, Y-m, Cappai, R, Wang, J-z, Liu, R, Bush, A I

“…Functional failure of tau contributes to age-dependent, iron-mediated neurotoxicity, and as iron accumulates in ischemic stroke tissue, we hypothesized that…”
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The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models by Noid, W G, Chu, Jhih-Wei, Ayton, Gary S, Krishna, Vinod, Izvekov, Sergei, Voth, Gregory A, Das, Avisek, Andersen, Hans C

“…Coarse-grained (CG) models provide a computationally efficient method for rapidly investigating the long time- and length-scale processes that play a critical…”
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The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models by Noid, W G, Liu, Pu, Wang, Yanting, Chu, Jhih-Wei, Ayton, Gary S, Izvekov, Sergei, Andersen, Hans C, Voth, Gregory A

“…The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005); J. Chem. Phys. 123, 134105 (2005)] employs a…”
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Multiscale Computer Simulation of the Immature HIV-1 Virion by Ayton, Gary S., Voth, Gregory A.

“…Multiscale computer simulations, employing a combination of experimental data and coarse-graining methods, are used to explore the structure of the immature…”
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Lithium suppression of tau induces brain iron accumulation and neurodegeneration by Lei, P, Ayton, S, Appukuttan, A T, Moon, S, Duce, J A, Volitakis, I, Cherny, R, Wood, S J, Greenough, M, Berger, G, Pantelis, C, McGorry, P, Yung, A, Finkelstein, D I, Bush, A I

“…Lithium is a first-line therapy for bipolar affective disorder. However, various adverse effects, including a Parkinson-like hand tremor, often limit its use…”
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Elevated plasma ferritin in elderly individuals with high neocortical amyloid-β load by Goozee, K, Chatterjee, P, James, I, Shen, K, Sohrabi, H R, Asih, P R, Dave, P, ManYan, C, Taddei, K, Ayton, S J, Garg, M L, Kwok, J B, Bush, A I, Chung, R, Magnussen, J S, Martins, R N

“…Ferritin, an iron storage and regulation protein, has been associated with Alzheimer’s disease (AD); however, it has not been investigated in preclinical AD,…”
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Hybrid Coarse-Graining Approach for Lipid Bilayers at Large Length and Time Scales by Ayton, Gary S, Voth, Gregory A

“…A hybrid analytic−systematic (HAS) coarse-grained (CG) lipid model is developed and employed in a large-scale simulation of a liposome. The methodology is…”
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Role of Protein Interactions in Defining HIV-1 Viral Capsid Shape and Stability: A Coarse-Grained Analysis by Krishna, Vinod, Ayton, Gary S., Voth, Gregory A.

“…Coarse-grained models of the HIV-1 CA dimer are constructed based on all-atom molecular dynamics simulations. Coarse-grained representations of the capsid…”
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A second generation mesoscopic lipid bilayer model: connections to field-theory descriptions of membranes and nonlocal hydrodynamics by Ayton, Gary S, McWhirter, J Liam, Voth, Gregory A

“…A new mesoscopic membrane model is developed in order to examine long-wavelength structural and dynamical membrane phenomena. Two different explicit mesoscopic…”
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Amine oxidase activity of β-amyloid precursor protein modulates systemic and local catecholamine levels by Duce, J A, Ayton, S, Miller, A A, Tsatsanis, A, Lam, L Q, Leone, L, Corbin, J E, Butzkueven, H, Kilpatrick, T J, Rogers, J T, Barnham, K J, Finkelstein, D I, Bush, A I

“…The catecholamines dopamine (DA), norepinephrine (NE) and epinephrine (E) are neurotransmitters and hormones that mediate stress responses in tissues and…”
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Synchronization of E. coli O157 shedding in a grass-fed beef herd: a longitudinal study by LAMMERS, G. A. C., McCONNEL, C. S., JORDAN, D., AYTON, M. S., MORRIS, S., PATTERSON, E. I., WARD, M. P., HELLER, J.

“…This study aims to describe in detail the temporal dynamics of E. coli O157 shedding and risk factors for shedding in a grass-fed beef herd. During a 9-month…”
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Multiscale modeling of biomolecular systems: in serial and in parallel by Ayton, Gary S, Noid, Will G, Voth, Gregory A

“…Considerable progress has been recently achieved in the multiscale modeling of complex biological processes. Multiscale models have now investigated the…”
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Coupling Field Theory with Continuum Mechanics: A Simulation of Domain Formation in Giant Unilamellar Vesicles by Ayton, Gary S., McWhirter, J. Liam, McMurtry, Patrick, Voth, Gregory A.

“…Domain formation is modeled on the surface of giant unilamellar vesicles using a Landau field theory model for phase coexistence coupled to elastic deformation…”
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Multiscale coupling of mesoscopic- and atomistic-level lipid bilayer simulations by Chang, Rakwoo, Ayton, Gary S, Voth, Gregory A

“…A multiscale method is presented to bridge between the atomistic and mesoscopic membrane systems. The atomistic model in this case is the united atom…”
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Mesoscopic Lateral Diffusion in Lipid Bilayers by Ayton, Gary S., Voth, Gregory A.

“…The lateral diffusion in bilayers is modeled with a multiscale mesoscopic simulation. The methodology consists of two simulations, where the first employs…”
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Systematic multiscale simulation of membrane protein systems by Ayton, Gary S, Voth, Gregory A

“…Current multiscale simulation approaches for membrane protein systems vary depending on their degree of connection to the underlying molecular scale…”
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Multiscale Coarse-Graining and Structural Correlations:  Connections to Liquid-State Theory by Noid, W. G, Chu, Jhih-Wei, Ayton, Gary S, Voth, Gregory A

“…A statistical mechanical framework elucidates the significance of structural correlations between coarse-grained (CG) sites in the multiscale coarse-graining…”
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Membrane Binding by the Endophilin N-BAR Domain by Cui, Haosheng, Ayton, Gary S., Voth, Gregory A.

“…The structure of the endophilin N-terminal amphipathic helix Bin/Amphiphysin/Rvs-homology (N-BAR) domain is unique because of an additional insert helix under…”
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Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales by Ayton, Gary S, Lyman, Edward, Voth, Gregory A

“…An overall multiscale simulation strategy for large scale coarse-grain simulations of membrane protein systems is presented. The protein is modeled as a…”
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