Molecular Dynamics Simulation of a Zif268-DNA Complex in Water. Spatial Patterns and Fluctuations Sensed from a Nanosecond Trajectory

1998 ◽  
Vol 102 (10) ◽  
pp. 1828-1832 ◽  
Author(s):  
G. Roxström ◽  
I. Velázquez ◽  
M. Paulino ◽  
O. Tapia
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Spatial Patterns ◽  
Dynamics Simulation ◽  
Dna Complex

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.

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