Computational Models of the Gastrointestinal Environment. 1. The Effect of Digestion on the Phase Behavior of Intestinal Fluids

Improved models of the gastrointestinal environment have great potential to assist the complex process of drug formulation. Molecular dynamics (MD) is a powerful method for investigating phase behavior at a molecular level. In this study we use multiple MD simulations to calculate phase diagrams for...

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Veröffentlicht in:	Molecular pharmaceutics 2017-03, Vol.14 (3), p.566-579
Hauptverfasser:	Birru, Woldeamanuel A, Warren, Dallas B, Headey, Stephen J, Benameur, Hassan, Porter, Christopher J. H, Pouton, Colin W, Chalmers, David K
Format:	Artikel
Sprache:	eng
Schlagworte:	Bile - chemistry Bile Acids and Salts - chemistry Body Fluids - chemistry Chemistry, Pharmaceutical - methods Computer Simulation Digestion - physiology Gastrointestinal Tract - chemistry Glycodeoxycholic Acid - chemistry Magnetic Resonance Spectroscopy - methods Micelles Molecular Dynamics Simulation Oleic Acid - chemistry Phosphatidylcholines - chemistry Phospholipids - chemistry Water - chemistry
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