Molecular Simulation, Volume 31, Issue 10 (2005)

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Molecular Simulation, Volume 31, Issue 10 (2005)

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Original Articles

Article
Free energy landscapes of two model peptides: α-helical and β-hairpin peptides explored with Brownian dynamics simulation
T. Ando & I. Yamato
Pages: 683-693
Published online: 19 Aug 2006
AbstractforFree energy landscapes of two model peptides: α-helical and β-hairpin peptides explored with Brownian dynamics simulation | Full Text | References | PDF (692.4 KB)
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Article
Constructing a small strain potential for multi-scale modeling
A. Mallik, K. Runge, H.-P. Cheng & J. Dufty
Pages: 695-703
Published online: 19 Aug 2006
AbstractforConstructing a small strain potential for multi-scale modeling | Full Text | References | PDF (181.4 KB)
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Article
New potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method
E. Bourasseau, J.-B. Maillet, L. Mondelain & P.-M. Anglade
Pages: 705-713
Published online: 19 Aug 2006
AbstractforNew potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method | Full Text | References | PDF (234 KB)
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Article
Analytical and numerical calculations of interatomic forces and stresses
X. W. Zhou
Pages: 715-723
Published online: 19 Aug 2006
AbstractforAnalytical and numerical calculations of interatomic forces and stresses | Full Text | References | PDF (283.9 KB)
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Article
Molecular dynamics simulation of fluorination effect for solvation of trifluoromethylbenzoic acid isomers in supercritical carbon dioxide
H. Higashi, Y. Iwai, K. Miyazaki & Y. Arai
Pages: 725-730
Published online: 19 Aug 2006
AbstractforMolecular dynamics simulation of fluorination effect for solvation of trifluoromethylbenzoic acid isomers in supercritical carbon dioxide | Full Text | References | PDF (349.8 KB)
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Article
Molecular dynamics simulations of polyampholytes inside a slit
J. Feng, H. Liu & Y. Hu
Pages: 731-738
Published online: 19 Aug 2006
AbstractforMolecular dynamics simulations of polyampholytes inside a slit | Full Text | References | PDF (331 KB)
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