Molecular simulations of dopamine in a lipid bilayer

This study concerns atomistic simulations of dopamine in a fully hydrated lipid bilayer consisting of dipalmitoylphosphatidylcholine (DPPC) molecules. To be more specific, molecular dynamics and umbrella sampling simulations are performed for the detailed investigation of how dopamine behaves in the...

Ausführliche Beschreibung

Bibliographische Detailangaben

Hauptverfasser:	Megariotis, Grigorios, Romanos, Nikolaos A., Theodorou, Doros N.
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Dipalmitoyl phosphatidylcholine Dopamine Hydrogen bonding Lipids Molecular dynamics Simulation
Online-Zugang:	Volltext
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