Molecular Simulation, Volume 31, Issue 8 (2005)

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Molecular Simulation, Volume 31, Issue 8 (2005)

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Original Articles

Article
Molecular dynamics simulation of lipid bilayers with GROMOS96: Application of surface tension
I. Chandrasekhar, D. Bakowies, A. Glättli, P. Hünenberger, C. Pereira & W. F. van Gunsteren
Pages: 543-548
Published online: 19 Aug 2006
AbstractforMolecular dynamics simulation of lipid bilayers with GROMOS96: Application of surface tension | Full Text | References | PDF (657.1 KB)
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Article
Molecular dynamics simulation of aqueous solutions using interaction energy components: Application to the dielectric properties of the acetone–water system
S. Tolosa Arroyo, J. A. Sansón Martín & A. Hidalgo García
Pages: 549-553
Published online: 19 Aug 2006
AbstractforMolecular dynamics simulation of aqueous solutions using interaction energy components: Application to the dielectric properties of the acetone–water system | Full Text | References | PDF (162.7 KB)
  • 111 Views
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Article
Molecular dynamics simulation of liquid water under the influence of an external electric field
S. Wei, C. Zhong & H. Su-Yi
Pages: 555-559
Published online: 19 Aug 2006
AbstractforMolecular dynamics simulation of liquid water under the influence of an external electric field | Full Text | References | PDF (228.9 KB)
  • 789 Views
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Article
An ultrathin carbon nanoribbon study as a component of nanoelectromechanical devices
J. W. Kang & H. J. Hwang
Pages: 561-565
Published online: 19 Aug 2006
AbstractforAn ultrathin carbon nanoribbon study as a component of nanoelectromechanical devices | Full Text | References | PDF (468.2 KB)
  • 35 Views
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Article
Flexible docking of DNA fragments and actinocin derivatives
K.V. Miroshnychenko & A.V. Shestopalova
Pages: 567-574
Published online: 19 Aug 2006
AbstractforFlexible docking of DNA fragments and actinocin derivatives | Full Text | References | PDF (495.1 KB)
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Article
2D Autocorrelation modeling of the activity of trihalobenzocycloheptapyridine analogues as farnesyl protein transferase inhibitors
M. Fernández, A. Tundidor-Camba & J. M. Caballero
Pages: 575-584
Published online: 19 Aug 2006
Abstractfor2D Autocorrelation modeling of the activity of trihalobenzocycloheptapyridine analogues as farnesyl protein transferase inhibitors | Full Text | References | PDF (251.7 KB)
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Article
Self-consistent tight binding model adapted for hydrocarbon systems
D. A. Areshkin, O. A. Shenderova, J. D. Schall & D. W. Brenner
Pages: 585-595
Published online: 19 Aug 2006
AbstractforSelf-consistent tight binding model adapted for hydrocarbon systems | Full Text | References | PDF (563.1 KB)
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Article
Ligand-based virtual screening using binary kernel discrimination
Beining Chen, Robert F. Harrison, Jérôme Hert, Chido Mpanhanga, Peter Willett & David J. Wilton
Pages: 597-604
Published online: 19 Aug 2006
AbstractforLigand-based virtual screening using binary kernel discrimination | Full Text | References | PDF (102.2 KB)
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Article
An insight into the mechanism of the cellulose dyeing process, part 2: Simulation of aggregation, solvent and additive effects upon azo-linked aromatics and dyes
John D. Hamlin & Andrew Whiting
Pages: 605-612
Published online: 19 Aug 2006
AbstractforAn insight into the mechanism of the cellulose dyeing process, part 2: Simulation of aggregation, solvent and additive effects upon azo-linked aromatics and dyes | Full Text | References | PDF (3.3 MB)
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