Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
Technical Papers
A New Treatment for Water near the Interface between Lipid Membrane and Silica in Dissipative Particle Dynamics Simulation
Hideo DOIKoji OKUWAKIYuji MOCHIZUKITaku OZAWA
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2017 Volume 16 Issue 1 Pages 28-31

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Abstract

Dissipative particle dynamics (DPD) simulation is used for research in a wide range of science fields such as biological membranes. Conventionally, in such DPD simulations, both bulk water and interfacial water were treated by the same properties. However, such an approach could not well reproduce several properties of the target system, because some experimental and theoretical researches show the properties of water molecules near interfaces are considerably different from those of bulk water molecules. Therefore, in order to solve such a problem, we propose a new approach for interfacial water. We apply this approach to the DPD simulation of lipid membrane - silica - water system. As result, we could model the adsorption of lipid membrane on silica surface.

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© 2017 Society of Computer Chemistry, Japan
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