Conformational studies of a benzodiazepine-like peptide in SDS micelles by circular dichroism,1H NMR and molecular dynamics simulation

1997 ◽  
Vol 4 (4-6) ◽  
pp. 359-364 ◽  
Author(s):  
Marc Lecouvey ◽  
Céline Frochot ◽  
Laurent Miclo ◽  
Piotr Orlewski ◽  
Michel Marraud ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Molecular Dynamics Simulation ◽  
1H Nmr ◽  
Dynamics Simulation ◽  
Conformational Studies ◽  
Sds Micelles ◽  
Circular Dichroïsm

Calculation of the circular dichroism spectrum of cyclo(l-tyr-l-tyr) based on a molecular dynamics simulation

1994 ◽  
Vol 49 (2) ◽  
pp. 141-152 ◽  
Author(s):  
Jörg Fleischhauer ◽  
Joachim Grötzinger ◽  
Bernd Kramer ◽  
Peter Krüger ◽  
Axel Wollmer ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Molecular Dynamics Simulation ◽  
Circular Dichroism Spectrum ◽  
Dynamics Simulation ◽  
Circular Dichroïsm

Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism

BioMetals ◽  
2010 ◽  
Vol 24 (2) ◽  
pp. 259-268 ◽  
Author(s):  
Isabella Daidone ◽  
Alessandro Magliano ◽  
Alfredo Di Nola ◽  
Giuseppina Mignogna ◽  
Matilda Manuela Clarkson ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Conformational Study ◽  
Bovine Lactoferricin ◽  
Circular Dichroïsm

Circular dichroism and 1H NMR studies on bombolitin-related peptides in aqueous solution containing SDS micelles

Peptides 1992 ◽  
1993 ◽  
pp. 525-526 ◽  
Author(s):  
Roberto Battistutta ◽  
Alessandro Bisello ◽  
Stefano Mammi ◽  
Evaristo Peggion
Keyword(s):  
Aqueous Solution ◽  
Circular Dichroism ◽  
1H Nmr ◽  
Nmr Studies ◽  
Sds Micelles ◽  
Circular Dichroïsm

Conformational Studies of the Emp-AKH Peptide Using Molecular and Langevin Dynamics Methods

1998 ◽  
Vol 53 (9-10) ◽  
pp. 857-862 ◽  
Author(s):  
Igor Zbigniew Zubrzycki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Minimum Energy ◽  
Langevin Dynamics ◽  
Dynamics Simulation ◽  
Vacuum Model ◽  
Conformational Studies ◽  
Backbone Structure ◽  
Langevin Dynamics Simulation

The secondary structure of the member of the AKH/RPCH family has been studied by Molecular Dynamics and Langevin Dynamics methods. Molecular dynamics simulation were performed in vacuum, model aqueous solution and simulated membrane. Langevin dynamics simulation was performed using the friction factor γ equal to 2 ps-1. Molecular dynamics as well as Langevin Dynamics simulation were conducted at 300 K. All minimum energy conformers have similar backbone structure characterised by the turn consisted out of 3 amino acids, Thr, Pro and Asn7. Structures obtained from Molecular Dynamics simulation are characterised by the lack of hydrogen bonds whereas the structure obtained form Langevin Dynamics simulation is stabilised by the web of hydrogen bonds.

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