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1998 (1)
1Author    IgorZbigniew ZubrzyckiRequires cookie*
 Title    Conformational Studies of the Emp-AKH Peptide Using Molecular and Langevin Dynamics Methods  
 Abstract    The secondary structure of the member of the A K H/RPCH family has been studied by Molecular Dynamics and Langevin Dynamics methods. Molecular dynamics simulation were performed in vacuum, m odel aqueous solution and simulated membrane. Langevin dynamics simulation was performed using the friction factor y equal to 2 ps_1. Molecular dynamics as well as Langevin Dynam ics simulation were conducted at 300 K. All minimum energy con-formers have similar backbone structure characterised by the turn consisted out of 3 amino acids, Thr, Pro and A sn7. Structures obtained from Molecular Dynamics simulation are char­ acterised by the lack o f hydrogen bonds whereas the structure obtained form Langevin D y­ namics simulation is stabilised by the web of hydrogen bonds. 
  Reference    Z. Naturforsch. 53c, 857 (1998); received April 29/June 12 1998 
  Published    1998 
  Keywords    Molecular Dynamics, Langevin Dynamics, Adipokinetic Hormones, Em p-AKH, 3D-Structure 
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 TEI-XML for    default:Reihe_C/53/ZNC-1998-53c-0857.pdf 
 Identifier    ZNC-1998-53c-0857 
 Volume    53