pH‐dependent behavior of ionizable cationic lipids in mRNA‐carrying lipoplexes investigated by molecular dynamics simulations

2021 ◽  
pp. 2100683
Author(s):  
Giovanni Settanni ◽  
Wolfgang Brill ◽  
Heinrich Haas ◽  
Friederike Schmid
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Cationic Lipids ◽  
Dependent Behavior ◽  
Ph Dependent ◽  
Dynamics Simulations

scholarly journals All Atom Molecular Dynamics Simulations of pH Dependent Surfactants

2013 ◽  
Vol 104 (2) ◽  
pp. 664a
Author(s):  
Brian Morrow ◽  
Peter H. Koenig ◽  
David Eike ◽  
Jana K. Shen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ph Dependent ◽  
Dynamics Simulations

scholarly journals PSI relieves the pressure of membrane fusion

2020 ◽  
Vol 295 (43) ◽  
pp. 14563-14564
Author(s):  
John C. Hackett
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Membrane Fusion ◽  
Membrane Association ◽  
New Directions ◽  
Plant Proteases ◽  
Ph Dependent ◽  
Dynamics Simulations

Some plant proteases contain a latent sequence known as the plant-specific insert (PSI) that, upon release from the full protease sequence, initiates membrane fusion to defend from pathogens. However, the mechanism by which it exerts its effects has been unclear. Zhao et al. report an elegant integration of biophysical experiments and molecular dynamics simulations to reveal events leading up to PSI-mediated membrane fusion. Their results demonstrate a pH-dependent monomer-to-dimer transition, clear evidence of membrane association, and probable structures of prefusion intermediates. These data expand our understanding of the elusive PSIs and may provide new directions for antimicrobial development.

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