Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory

2010 ◽  
Vol 132 (34) ◽  
pp. 11860-11863 ◽  
Author(s):  
E. Gloaguen ◽  
B. de Courcy ◽  
J.-P. Piquemal ◽  
J. Pilmé ◽  
O. Parisel ◽  
...  
Keyword(s):  
Gas Phase ◽  
Peptide Chain ◽  
Model Peptide

scholarly journals Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase

2017 ◽  
Vol 121 (36) ◽  
pp. 6838-6844 ◽  
Author(s):  
Markus Schneider ◽  
Chiara Masellis ◽  
Thomas Rizzo ◽  
Carsten Baldauf
Keyword(s):  
Gas Phase ◽  
Liquid State ◽  
Model Peptide

scholarly journals N-ethylformamide dimer. A β-turn model peptide in the gas phase

2017 ◽  
Vol 335 ◽  
pp. 102-107 ◽  
Author(s):  
V. Vaquero-Vara ◽  
V. Alstadt ◽  
T.P. Sewatsky ◽  
J.L. Claughton ◽  
I.A. Finneran ◽  
...  
Keyword(s):  
Gas Phase ◽  
Model Peptide

Isolated Monohydrates of a Model Peptide Chain: Effect of a First Water Molecule on the Secondary Structure of a Capped Phenylalanine

2011 ◽  
Vol 133 (11) ◽  
pp. 3931-3942 ◽  
Author(s):  
Himansu S. Biswal ◽  
Yohan Loquais ◽  
Benjamin Tardivel ◽  
Eric Gloaguen ◽  
Michel Mons
Keyword(s):  
Secondary Structure ◽  
Water Molecule ◽  
Peptide Chain ◽  
Model Peptide

CONFORMATIONAL PREFERENCES OF N-ACETYL–GLYCINE–GLYCINE–N′-METHYLAMIDE: A THEORETICAL STUDY

2009 ◽  
Vol 08 (05) ◽  
pp. 799-811 ◽  
Author(s):  
HO-JIN LEE ◽  
HYUN-MEE PARK ◽  
KANG-BONG LEE
Keyword(s):  
Protein Folding ◽  
Force Field ◽  
Gas Phase ◽  
Relative Position ◽  
Theoretical Study ◽  
Minimum Energy ◽  
Energy Profile ◽  
Model Peptide ◽  
Conformational Preferences ◽  
Peptide Models

The conformational preferences of peptide models have been investigated to understand the protein folding mechanism and to develop the force field. Here, we report the minimum energy conformations for a model peptide, N-acetyl–glycine–glycine–N′-methylamide ( Ac–1Gly–2Gly–NHMe(I) ) at the HF/3-21G, HF/6-31G*, and the B3LYP/6-31G* level of theory. At the B3LYP/6-31G* level, the 31 minima were identified and the 10 β-turn structures among the minima were observed in gas-phase. The conformational preferences of Gly residue in the model peptide, I depend on its relative position and conformation of neighboring Gly residue. The Gly residue in this model dipeptide has an asymmetric energy profile as one of Gly residue adopts a specific conformation. This study sheds some lights on understanding the unique conformational preferences of Gly residue in protein including two consecutive Gly residues.

scholarly journals Effects of charge states, charge sites and side chain interactions on conformational preferences of a series of model peptide ions

The Analyst ◽  
2015 ◽  
Vol 140 (20) ◽  
pp. 6933-6944 ◽  
Author(s):  
Chunying Xiao ◽  
Lisa M. Pérez ◽  
David H. Russell
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Phase ◽  
Dynamics Simulation ◽  
Side Chain ◽  
Peptide Ions ◽  
Conformational Preference ◽  
Model Peptide ◽  
Factors Affecting ◽  
Conformational Preferences

The factors affecting conformational preference of gas phase peptide ions are investigated by IM-MS and molecular dynamics simulation.

Far/Mid-Infrared Signatures of Solvent–Solute Interactions in a Microhydrated Model Peptide Chain

2012 ◽  
Vol 3 (22) ◽  
pp. 3307-3311 ◽  
Author(s):  
Manuela Cirtog ◽  
Anouk M. Rijs ◽  
Yohan Loquais ◽  
Valérie Brenner ◽  
Benjamin Tardivel ◽  
...  
Keyword(s):  
Peptide Chain ◽  
Model Peptide ◽  
Mid Infrared ◽  
Solute Interactions

Gas phase folding of an (Ala)4 neutral peptide chain: spectroscopic evidence for the formation of a β-hairpin H-bonding pattern

2009 ◽  
Vol 11 (48) ◽  
pp. 11385 ◽  
Author(s):  
Eric Gloaguen ◽  
Rodolphe Pollet ◽  
François Piuzzi ◽  
Benjamin Tardivel ◽  
Michel Mons
Keyword(s):  
Gas Phase ◽  
Peptide Chain ◽  
Spectroscopic Evidence ◽  
Neutral Peptide

Amide-I and -II Vibrations of the Cyclic β-Sheet Model Peptide Gramicidin S in the Gas Phase

2010 ◽  
Vol 132 (6) ◽  
pp. 2085-2093 ◽  
Author(s):  
Peter Kupser ◽  
Kevin Pagel ◽  
Jos Oomens ◽  
Nick Polfer ◽  
Beate Koksch ◽  
...  
Keyword(s):  
Gas Phase ◽  
Model Peptide ◽  
Gramicidin S ◽  
Β Sheet

scholarly journals Spectroscopic Evidence for Gas-Phase Formation of Successive β-Turns in a Three-Residue Peptide Chain

2005 ◽  
Vol 127 (5) ◽  
pp. 1388-1389 ◽  
Author(s):  
Wutharath Chin ◽  
Isabelle Compagnon ◽  
Jean-Pierre Dognon ◽  
Clélia Canuel ◽  
François Piuzzi ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
Peptide Chain ◽  
Spectroscopic Evidence
Sign in / Sign up

Export Citation Format

Share Document