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Molecular Dynamics Simulations of n-octyl-β-D-glycosides: Some Structural Properties of Micelles

Teoh, Teow Chong, and Rauzah Hashim, (2003) Molecular Dynamics Simulations of n-octyl-β-D-glycosides: Some Structural Properties of Micelles. Malaysian Journal of Science, 22 (1). pp. 95-104. ISSN 1394-3065

Full text not available from this repository.

Official URL: http://www.um.edu.my/FS/Index.htm

Affiliations

University of Malaya, Faculty of Science, Dept. of Chemistry, Malaysia

Abstract

Micellar structures of n-octyl-$\beta$-D-maltopyranoside (OM) and n-octyl-$\beta$-D-glucopyranoside (OG) were investigated using molecular dynamics simulation. The gyration radii of OM and OG micelles were compared. In order to investigate the effect of head group, the micellar structure of n-octyl-$\beta$-D-gaIactopyranoside (Ogal) was also studied. It was found that OG formed bigger micelles with gyration radii ranging from 7.18 to 11.62$\AA$. OM formed a small micelle with gyration radius of 8.21$\AA$ and Ogal formed miceiles with gyration radii ranging from 8.66 to 11.07$\AA.$

Item Type:Journal
Keywords:Micelle, molecular dynamics, Amber forcefield, gyration radius, reversed micelle
Subjects:Q Science, Computer Science
ID Code:1745

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