Molecular Dynamics Investigations of PRODAN in a DLPC Bilayer

Molecular dynamics computer simulations have been performed to identify preferred positions of the fluorescent probe PRODAN in a fully hydrated DLPC bilayer in the fluid phase. In addition to the intramolecular charge-transfer first vertical excited state, we considered different charge distribution...

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Veröffentlicht in:	The journal of physical chemistry. B 2012-03, Vol.116 (9), p.2713-2721
Hauptverfasser:	Nitschke, William K, Vequi-Suplicy, Cíntia C, Coutinho, Kaline, Stassen, Hubert
Format:	Artikel
Sprache:	eng
Schlagworte:	Charge distribution Correlation Excitation Ground state Lipid Bilayers Membranes Molecular dynamics Molecular Dynamics Simulation Phosphatidylcholines - chemistry Polarization Representations
Online-Zugang:	Volltext
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