Dynamics and Thermodynamics of Water in PAMAM Dendrimers at Subnanosecond Time Scales

Atomistic molecular dynamics simulations are used to study generation 5 polyamidoamine (PAMAM) dendrimers immersed in a bath of water. We interpret the results in terms of three classes of water:  buried water well inside of the dendrimer surface, surface water associated with the dendrimer−water in...

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Veröffentlicht in:	The journal of physical chemistry. B 2005-05, Vol.109 (18), p.8663-8672
Hauptverfasser:	Lin, Shiang-Tai, Maiti, Prabal K, Goddard, William A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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