Membrane Insertion of a Dinuclear Polypyridylruthenium(II) Complex Revealed by Solid-State NMR and Molecular Dynamics Simulation: Implications for Selective Antibacterial Activity

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Author(s):  
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Marc-Antoine Sani ◽  
Matthew T. Downton ◽  
Frances Separovic ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Antibacterial Activity ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Solid State Nmr ◽  
Dynamics Simulation ◽  
Membrane Insertion

Mixtures of Alcohols and Water confined in Mesoporous Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation Study

2018 ◽  
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Author(s):  
Bharti Kumari ◽  
Martin Brodrecht ◽  
Hergen Breitzke ◽  
Mayke Werner ◽  
Bob Grünberg ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Mesoporous Silica ◽  
Simulation Study ◽  
Solid State Nmr ◽  
Dynamics Simulation

scholarly journals Dynamic Structure of Bombolitin II Bound to Lipid Bilayers as Revealed by Solid-state NMR and Molecular-Dynamics Simulation

2010 ◽  
Vol 99 (10) ◽  
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Author(s):  
Shuichi Toraya ◽  
Namsrai Javkhlantugs ◽  
Daisuke Mishima ◽  
Katsuyuki Nishimura ◽  
Kazuyoshi Ueda ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Lipid Bilayers ◽  
Solid State Nmr ◽  
Dynamic Structure ◽  
Dynamics Simulation

scholarly journals Structure and Orientation of Bovine Lactoferrampin in the Mimetic Bacterial Membrane as Revealed by Solid-State NMR and Molecular Dynamics Simulation

2012 ◽  
Vol 103 (8) ◽  
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Author(s):  
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Namsrai Javkhlantugs ◽  
Atsushi Kira ◽  
Masako Umeyama ◽  
Izuru Kawamura ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Solid State Nmr ◽  
Dynamics Simulation ◽  
Bacterial Membrane

Dynamic Structure and Orientation of Melittin Bound to Acidic Lipid Bilayers, As Revealed by Solid-State NMR and Molecular Dynamics Simulation

2017 ◽  
Vol 121 (8) ◽  
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Author(s):  
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Namsrai Javkhlantugs ◽  
Daisuke Mishima ◽  
Izuru Kawamura ◽  
Hazime Saitô ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solid State ◽  
Lipid Bilayers ◽  
Solid State Nmr ◽  
Dynamic Structure ◽  
Dynamics Simulation ◽  
Acidic Lipid
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