About: Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. 2. Interpretation of Complex Dynamics in Linear Oligosaccharides     Goto   Sponge   NotDistinct   Permalink

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Description
  • A computational stochastic approach is applied to the description of flexible molecules. By combining (i) molecular dynamics simulations, (ii) hydrodynamics approaches, and (iii) a multidimensional diffusive description for internal and global dynamics, it is possible to build an efficient integrated approach to the interpretation of relaxation processes in flexible systems. In particular, the model is applied to the interpretation of nuclear magnetic relaxation measurements of linear oligosaccharides, namely a mannose-containing trisaccharide and the pentasaccharide LNF-1. Experimental data are reproduced with sufficient accuracy without free model parameters.
  • A computational stochastic approach is applied to the description of flexible molecules. By combining (i) molecular dynamics simulations, (ii) hydrodynamics approaches, and (iii) a multidimensional diffusive description for internal and global dynamics, it is possible to build an efficient integrated approach to the interpretation of relaxation processes in flexible systems. In particular, the model is applied to the interpretation of nuclear magnetic relaxation measurements of linear oligosaccharides, namely a mannose-containing trisaccharide and the pentasaccharide LNF-1. Experimental data are reproduced with sufficient accuracy without free model parameters. (en)
Title
  • Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. 2. Interpretation of Complex Dynamics in Linear Oligosaccharides
  • Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. 2. Interpretation of Complex Dynamics in Linear Oligosaccharides (en)
skos:prefLabel
  • Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. 2. Interpretation of Complex Dynamics in Linear Oligosaccharides
  • Stochastic Modeling of Flexible Biomolecules Applied to NMR Relaxation. 2. Interpretation of Complex Dynamics in Linear Oligosaccharides (en)
skos:notation
  • RIV/00216208:11320/12:10128967!RIV13-MSM-11320___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • S
http://linked.open...iv/cisloPeriodika
  • 50
http://linked.open...vai/riv/dodaniDat
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  • 171457
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  • RIV/00216208:11320/12:10128967
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  • simulations; macromolecules; esr-spectra; beta-hairpin; c-13 relaxation; internal dynamics; gamma-cyclodextrin; molecular-dynamics; protein-folding kinetics; magnetic-resonance relaxation (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [70BCAAC1CB06]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor
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http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 116
http://linked.open...iv/tvurceVysledku
  • Šoltésová, Mária
  • Kowalewski, Jozef
  • Engstrom, Olof
  • Kotsyubynskyy, Dmytro
  • Pendrill, Robert
  • Polimeno, Antonin
  • Widmalm, Goran
  • Zerbetto, Mirco
http://linked.open...ain/vavai/riv/wos
  • 000312519900004
issn
  • 1520-6106
number of pages
http://bibframe.org/vocab/doi
  • 10.1021/jp306627q
http://localhost/t...ganizacniJednotka
  • 11320
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