Molecular Simulation, Volume 36, Issue 4 (2010)

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Molecular Simulation, Volume 36, Issue 4 (2010)

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Original Articles

Article
Probabilistic models for damage and self-repair in DNA self-assembly
U. Majumder
Pages: 255-266
Published online: 30 Sep 2009
AbstractforProbabilistic models for damage and self-repair in DNA self-assembly | Full Text | References | PDF (1.4 MB)
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Article
MIA-QSAR modelling of activities of a series of AZT analogues: bi- and multilinear PLS regression
Mohammad Goodarzi & Matheus Puggina de Freitas
Pages: 267-272
Published online: 23 Sep 2009
AbstractforMIA-QSAR modelling of activities of a series of AZT analogues: bi- and multilinear PLS regression | Full Text | References | PDF (251.4 KB)
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Article
Simulation of hydrocarbon molecules' absorption by ultra disperse water medium
A.Y. Galashev
Pages: 273-282
Published online: 08 Oct 2009
AbstractforSimulation of hydrocarbon molecules' absorption by ultra disperse water medium | Full Text | References | PDF (431 KB)
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Article
FT-IR, FT-Raman and UV–vis spectra and quantum chemical investigation of carvedilol
Lakshmi Jagannathan, R. Meenakshi, S. Gunasekaran & S. Srinivasan
Pages: 283-290
Published online: 08 Oct 2009
AbstractforFT-IR, FT-Raman and UV–vis spectra and quantum chemical investigation of carvedilol | Full Text | References | PDF (179 KB)
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Article
A density functional theory for Yukawa chain fluids in a nanoslit
Yu Liu, Xueqian Chen, Honglai Liu, Ying Hu & Jianwen Jiang
Pages: 291-301
Published online: 22 Jan 2010
AbstractforA density functional theory for Yukawa chain fluids in a nanoslit | Full Text | References | PDF (306.5 KB)
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Article
Folding simulations of three proteins having all α-helix, all β-strand and α/β-structures
Yoshitake Sakae & Yuko Okamoto
Pages: 302-310
Published online: 10 Nov 2009
AbstractforFolding simulations of three proteins having all α-helix, all β-strand and α/β-structures | Full Text | References | PDF (565.8 KB)
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Article
Classical and 3D-QSAR studies of cytochrome 17 inhibitor imidazole-substituted biphenyls
Partha Pratim Roy & Kunal Roy
Pages: 311-325
Published online: 23 Nov 2009
AbstractforClassical and 3D-QSAR studies of cytochrome 17 inhibitor imidazole-substituted biphenyls | Full Text | References | PDF (1.4 MB)
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Article
Molecular dynamics simulations of submonolayer hexane and pentane films on graphite
M.W. Roth, M. Kaspar, Carlos Wexler, L. Firlej & B. Kuchta
Pages: 326-333
Published online: 26 Nov 2009
AbstractforMolecular dynamics simulations of submonolayer hexane and pentane films on graphite | Full Text | References | PDF (3.9 MB)
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