20ns Molecular Dynamics Simulation of the Antennapedia Homeodomain-DNA Complex: Water Interaction and DNA Structure Analysis

2010 ◽  
Vol 27 (4) ◽  
pp. 443-455 ◽  
Author(s):  
Sujata Roy ◽  
Ashoke Ranjan Thakur
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structure Analysis ◽  
Dna Structure ◽  
Dynamics Simulation ◽  
Water Interaction ◽  
Dna Complex

A molecular dynamics simulation study of polyamine? and sodium?DNA. Interplay between polyamine binding and DNA structure

2004 ◽  
Vol 33 (8) ◽  
pp. 671-682 ◽  
Author(s):  
Nikolay Korolev ◽  
Alexander P. Lyubartsev ◽  
Aatto Laaksonen ◽  
Lars Nordenski�ld
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dna Structure ◽  
Dynamics Simulation

DNA Transfection Efficiency of Antimicrobial Peptide as Revealed by Molecular Dynamics Simulation

2013 ◽  
Vol 1569 ◽  
pp. 109-114
Author(s):  
Namsrai Javkhlantugs ◽  
Janlav Munkhtsetseg ◽  
Chimed Ganzorig ◽  
Kazuyoshi Ueda
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Transfection Efficiency ◽  
Dynamics Simulation ◽  
Amino Acid Residues ◽  
Dna Transfection ◽  
Amphipathic Peptide ◽  
Endosomal Membrane ◽  
N Terminus ◽  
Dna Complex

ABSTRACTThe peptide-DNA complex was investigated by using molecular dynamics simulation to analyze the transfection efficiency of cationic amphipathic peptide. Previously, the cationic peptide, LFampinB, with positively charged amino acid residues of Lysines was used to investigate the orientation and interaction energies for entering the cell though disruption of the endosomal membrane. The same interactions were obtained for N-terminus of the LFampinB peptide with membrane and with plasmid DNA. The N-terminus of LFampinB can bind at minor groove of DNA to make complexation of the peptide with DNA.

Sign in / Sign up

Export Citation Format

Share Document