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Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,323-342
DOI: 10.1039/C3FD00139C, PaperAthanasios Anthopoulos, Gaia Pasqualetto, Ian Grimstead, Andrea Brancale
The content of this RSS Feed (c) The Royal Society of Chemistry

NRas slows the rate at which a model lipid bilayer phase separates

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,209-223
DOI: 10.1039/C3FD00131H, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Elizabeth Jefferys, Mark S. P. Sansom, Philip W. Fowler
The content of this RSS Feed (c) The Royal Society of Chemistry

Methodologies for the analysis of instantaneous lipid diffusion in md simulations of large membrane systems

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,455-475
DOI: 10.1039/C3FD00145H, PaperMatthieu Chavent, Tyler Reddy, Joseph Goose, Anna Caroline E. Dahl, John E. Stone, Bruno Jobard, Mark S. P. Sansom
The content of this RSS Feed (c) The Royal Society of Chemistry

Visualising intrinsic disorder and conformational variation in protein ensembles

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,179-193
DOI: 10.1039/C3FD00138E, PaperJulian Heinrich, Michael Krone, Sean I. O'Donoghue, Daniel Weiskopf
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ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,119-142
DOI: 10.1039/C3FD00142C, PaperMatthieu Dreher, Jessica Prevoteau-Jonquet, Mikael Trellet, Marc Piuzzi, Marc Baaden, Bruno Raffin, Nicolas Ferey, Sophie Robert, Sebastien Limet
The content of this RSS Feed (c) The Royal Society of Chemistry

Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,45-62
DOI: 10.1039/C3FD00134B, PaperA.-E. Molza, N. Ferey, M. Czjzek, E. Le Rumeur, J.-F. Hubert, A. Tek, B. Laurent, M. Baaden, O. Delalande
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Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, 169,285-302
DOI: 10.1039/C3FD00159H, PaperEvgen Pavlov, Makoto Taiji, Arturs Scukins, Anton Markesteijn, Sergey Karabasov, Dmitry Nerukh
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FD 178: Ultrafast dynamics of nanoplasmonic stopped-light lasing

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00181H, PaperSebastian Wuestner, Tim Pickering, Joachim M Hamm, A Freddie Page, Andreas Pusch, Ortwin Hess
We study the spatio-temporal dynamics of coherent amplification and lasing in planar gain-enhanced nanoplasmonic structures and show that a singularity in the density of optical states leads to a stopped-light...
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FD 178: Ultimate limit of field confinement by surface plasmon polaritons

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00193A, PaperJacob Khurgin
We show that electric field confinement in surface plasmon polaritons propagating at the metal/dielectric interfaces enhances the loss due to Landau damping and which effectively limits the degree of confinement...
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FD 178: Relaxation dynamics of a quantum emitter resonantly coupled to a coherent state of localized surface plasmon

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00165F, PaperKhachatur V Nerkararyan, Sergey Bozhevolnyi
We investigate relaxation dynamics of a quantum dipole emitter (QDE), e.g., a molecule or quantum dot, located near a metal nanoparticle (MNP) exhibiting a dipolar localized surface plasmon (LSP) resonance...
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A classical treatment of optical tunneling in plasmonic gaps: extending the quantum corrected model to practical situations

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00196F, PaperRuben Esteban, Asier Zugarramurdi, Pu Zhang, Peter J.A. Nordlander, Francisco Jose Garcia Vidal, Andrey Borisov, Javier Aizpurua
The optical response of plasmonic nanogaps is challenging to address when the separations between the two nanoparticles forming the gap is reduced to a few nanometers or even subnanometer distances....
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 178: Light emission in nonlocal plasmonic metamaterials

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00186A, PaperViktor Podolskiy, Pavel Ginzburg, Brian Wells, Anatoly Zayats
We present analytical and computational studies of light emission in nonlocal metamaterials formed by arrays of aligned plasmonic nanowires. We demonstrate that emission lifetime in these composites is a complex...
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FD 178:A Surface Plasmon Enabled Liquid-Junction Photovoltaic Cell

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00185K, PaperMartin Moskovits, Woo-ram James Lee, Galen D Stucky, Syed Mubeen Jawahar Hussaini
Plasmonic nanosystems have recently been shown to be capable of functioning as photovoltaics and of carrying out redox photochemistry, purportedly using as charge carriers the energetic electrons and holes created...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 178: Plasmonic networks for single-photon emission control

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00187G, PaperMichele Gaio, Marta Castro-Lopez, Jan Renger, Prof. Dr. Niek F. van Hulst, Riccardo Sapienza
Optical nanoantennas have revolutionised the way we manipulate single photons emitted by individual light sources in a nanostructured photonic environment. Complex plasmonic architectures allow for multiscale light control by shortening...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 177:Electron Transfer Quenching in Light Adapted and Mutant Forms of the AppA BLUF Domain

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00189C, PaperSergey P Laptenok, Andras Lukacs, Richard Brust, Allison Haigney, Agnieszka Gil, Mike Towrie, Gregory M Greetham, Peter J Tonge, S R Meech
The Blue Light Using Flavin (BLUF) domain proteins are an important family of photoreceptors controlling a range of responses in a wide variety of organisms. The details of the primary...
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 174 Introductory Lecture- Organic electronics: an organic materials perspective

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00191E, PaperFred Wudl
This article is intended to provide a background to the Faraday Discussion 174: "Organic Photonics and Electronics" and will consist of a chronological, subjective review of organic electronics. Starting with...
The content of this RSS Feed (c) The Royal Society of Chemistry

Emerging photon technologies for probing ultrafast molecular dynamics

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00015C, PaperN. Berrah, L. Fang, T. Osipov, Z. Jurek, B. F. Murphy, R. Santra
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Concluding Remarks: There's Nowt so Queer as Carbon Electrodes

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00194J, PaperP R Unwin
(I believe that no abstract is required for 'Concluding remarks')
The content of this RSS Feed (c) The Royal Society of Chemistry

Controlled covalent modification of epitaxial single layer graphene on 6H-SiC (0001) with aryliodonium salts using electrochemical methods

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00038B, PaperK. J. Stevenson, P. A. Veneman, R. I. Gearba, K. M. Mueller, B. J. Holliday, T. Ohta, C. K. Chan
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry

FD 177: X-ray diffraction in temporally and spatially resolved biomolecular science

Faraday Disc. - 1 hour 22 min ago
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00166D, PaperJ R Helliwell, Alice Brink, Simon W M Tanley, Surasak Kaenket, Victoria-Laurina Starkey
Time-resolved Laue protein crystallography at the ESRF opened up the field of sub-nanosecond protein crystal structure analyses. There are a limited number of such time-resolved studies in the literature. Why...
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