Gramicidin A backbone and side chain dynamics evaluated by molecular dynamics simulations and nuclear magnetic resonance experiments. I: Molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 115, Issue 22, 2011, Pages 7417-7426

  Ingolfsson, Helgi I ^a,b   Li, Yuhui ^c   Vostrikov, Vitaly V ^d   Gu, Hong ^d   Hinton, James F ^d   Koeppe II, Roger E ^d   Roux, Benoît ^c   Andersen, Olaf S ^a  

^a WEILL CORNELL MEDICAL COLLEGE   (United States)

^b Tri Institutional Training Program in Computational Biology and Medicine   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

^d UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BIOLOGICAL MEMBRANES; BIOPHYSICS; DIMERS; DYNAMICS; FORECASTING; MICELLES; MOLECULAR DYNAMICS; PEPTIDES; RESONANCE; SODIUM SULFATE;

AVERAGE STRUCTURE; BI-LAYER; CHANNEL CONDUCTANCE; COMPARATIVE STUDIES; DIMYRISTOYLPHOSPHATIDYLCHOLINE; FORCE FIELDS; GRAMICIDIN A; IDEAL SYSTEMS; ION PERMEATION; MD SIMULATION; MEMBRANE PROTEINS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANICALS; NUCLEAR OVERHAUSER EFFECTS; ORDER PARAMETER; PEPTIDE BACKBONES; POTENTIAL OF MEAN FORCE; SDS MICELLES; SIDE-CHAIN DYNAMICS; SINGLE-CHANNEL; SMALL CHANNELS; SODIUM DODECYL SULFATE MICELLES; SPIN LATTICES; SPIN-SPIN; STRUCTURE AND DYNAMICS; TRYPTOPHAN SIDE CHAIN;

NUCLEAR MAGNETIC RESONANCE;

EID: 79958211512     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp200904d     Document Type: Article

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