Zu diesem lizenzpflichtigen Artikel gibt es eine Open Access Version, die kostenlos und ohne Lizenzbeschränkung gelesen werden kann. Die Open Access Version kann inhaltlich von der lizenzpflichtigen Version abweichen.
Kommerziell
Vergütung an den Verlag:
36,93 €
Grundgebühr:
4,00 €
Gesamtpreis:
40,93 €
Akademisch
Vergütung an den Verlag:
36,93 €
Grundgebühr:
2,00 €
Gesamtpreis:
38,93 €
Zitierformate anzeigen
Link teilen
Exportieren, teilen und zitieren
Preisinformation
Bitte wählen Sie ihr Lieferland und ihre Kundengruppe
Folded conformations of proteins in thermodynamically stable states have long lifetimes. Before it folds into a stable conformation, or after unfolding from a stable conformation, the protein will generally stray from one random conformation to another leading thus to rapid fluctuations. Brief structural changes therefore occur before folding and unfolding events. These short-lived movements are easily overlooked in studies of folding/unfolding for they represent momentary excursions of the protein to explore conformations in the neighborhood of the stable conformation. The present study looks for precursory signatures of protein folding/unfolding within these rapid fluctuations through a combination of three techniques: (1) ultrafast shape recognition, (2) time series segmentation, and (3) time series correlation analysis. The first procedure measures the differences between statistical distance distributions of atoms in different conformations by calculating shape similarity indices from molecular dynamics simulation trajectories. The second procedure is used to discover the times at which the protein makes transitions from one conformation to another. Finally, we employ the third technique to exploit spatial fingerprints of the stable conformations; this procedure is to map out the sequences of changes preceding the actual folding and unfolding events, since strongly correlated atoms in different conformations are different due to bond and steric constraints. The aforementioned high-frequency fluctuations are therefore characterized by distinct correlational and structural changes that are associated with rate-limiting precursors that translate into brief segments. Guided by these technical procedures, we choose a model system, a fragment of the protein transthyretin, for identifying in this system not only the precursory signatures of transitions associated with α helix and β hairpin, but also the important role played by weaker correlations in such protein folding dynamics.
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Classical mapping for Hubbard operators: Application to the double-Anderson model
Li, Bin
/ Miller, William H.
/ Levy, Tal J.
/ Rabani, Eranet al.
| 2014
Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: Insights into heterogeneous nucleation
English, Niall J.
/ Lauricella, Marco
/ Meloni, Simoneet al.
| 2014
Competition between photodetachment and autodetachment of the $\bm {2^1\pi \pi ^*}$ state of the green fluorescent protein chromophore anion
Mooney, Ciarán R. S.
/ Parkes, Michael A.
/ Zhang, Lijuan
/ Hailes, Helen C.
/ Simperler, Alexandra
/ Bearpark, Michael J.
/ Fielding, Helen H.et al.
| 2014
Communication: Oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and Gly-Gly-NH-CH3 radical cations
Vacher, Morgane
/ Bearpark, Michael J.
/ Robb, Michael A.et al.
| 2014
A theoretical and experimental study of pressure broadening of the oxygen A-band by helium
Grimminck, Dennis L. A. G.
/ Spiering, Frans R.
/ Janssen, Liesbeth M. C.
/ van der Avoird, Ad
/ van der Zande, Wim J.
/ Groenenboom, Gerrit C.et al.
| 2014
Non-adiabatic and intersystem crossing dynamics in SO2. II. The role of triplet states in the bound state dynamics studied by surface-hopping simulations
Mai, Sebastian
/ Marquetand, Philipp
/ González, Leticiaet al.
| 2014
Dynamics of the time-resolved stimulated Raman scattering spectrum in presence of transient vibronic inversion of population on the example of optically excited trans-β-apo-8′-carotenal
Kardaś, T. M.
/ Ratajska-Gadomska, B.
/ Lapini, A.
/ Ragnoni, E.
/ Righini, R.
/ Di Donato, M.
/ Foggi, P.
/ Gadomski, W.et al.
| 2014
Excited state dynamics in SO2. I. Bound state relaxation studied by time-resolved photoelectron-photoion coincidence spectroscopy
Wilkinson, Iain
/ Boguslavskiy, Andrey E.
/ Mikosch, Jochen
/ Bertrand, Julien B.
/ Wörner, Hans Jakob
/ Villeneuve, David M.
/ Spanner, Michael
/ Patchkovskii, Serguei
/ Stolow, Albertet al.
| 2014
Alkyl chain length-dependent surface reaction of dodecahydro-N-alkylcarbazoles on Pt model catalysts
Gleichweit, Christoph
/ Amende, Max
/ Bauer, Udo
/ Schernich, Stefan
/ Höfert, Oliver
/ Lorenz, Michael P. A.
/ Zhao, Wei
/ Müller, Michael
/ Koch, Marcus
/ Bachmann, Philippet al.
| 2014
Molecular near-field antenna effect in resonance hyper-Raman scattering: Intermolecular vibronic intensity borrowing of solvent from solute through dipole-dipole and dipole-quadrupole interactions
An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale
McCarty, J.
/ Clark, A. J.
/ Copperman, J.
/ Guenza, M. G.et al.
| 2014
Zu diesem lizenzpflichtigen Artikel gibt es eine Open Access Version, die kostenlos und ohne Lizenzbeschränkung gelesen werden kann. Die Open Access Version kann inhaltlich von der lizenzpflichtigen Version abweichen.