Water properties inside nanoscopic hydrophobic pocket studied by computer simulations

The structure and dynamics of water in the vicinity of the hemispherical hydrophobic pocket of 8 A radius were examined via molecular dynamics simulations in NVT ensemble. Density, hydrogen bonding properties, and residence times of water molecules were projected on two-dimensional planes providing...

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Veröffentlicht in:	The Journal of chemical physics 2006-10, Vol.125 (14), p.144717-144717
Hauptverfasser:	Setny, Piotr, Geller, Maciej
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Simulation Hydrogen Bonding Hydrophobic and Hydrophilic Interactions Models, Chemical Models, Molecular Nanostructures Surface Properties Water - chemistry
Online-Zugang:	Volltext
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