Molecular Simulation, Volume 32, Issue 10-11 (2006)

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Molecular Simulation, Volume 32, Issue 10-11 (2006)

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Miscellany

Guest editorial: Nanobiology
B. M. Pettitt
Page: 773
Published online: 31 Jan 2007
CitationforGuest editorial: Nanobiology | Full Text | PDF (26.1 KB)
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Original Articles

Article
Fast multipole methods for particle dynamics
J. Kurzak & B. M. Pettitt
Pages: 775-790
Published online: 31 Jan 2007
AbstractforFast multipole methods for particle dynamics | Full Text | References | PDF (333.7 KB)
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Article
Replica-exchange methods and predictions of helix configurations of membrane proteins
Hironori Kokubo & Yuko Okamoto
Pages: 791-801
Published online: 31 Jan 2007
AbstractforReplica-exchange methods and predictions of helix configurations of membrane proteins | Full Text | References | PDF (1,005.8 KB)
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Article
Simulating nanoscale functional motions of biomolecules
W. Wriggers, Z. Zhang, M. Shah & D. C. Sorensen
Pages: 803-815
Published online: 31 Jan 2007
AbstractforSimulating nanoscale functional motions of biomolecules | Full Text | References | PDF (690.5 KB)
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Article
Hydration structure, thermodynamics, and functions of protein studied by the 3D-RISM theory
T. Imai, A. Kovalenko & F. Hirata
Pages: 817-824
Published online: 31 Jan 2007
AbstractforHydration structure, thermodynamics, and functions of protein studied by the 3D-RISM theory | Full Text | References | PDF (167.8 KB)
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Article
A novel hybrid simulation for study of multiscale phenomena
P. E. Krouskop, J. Garrison, P. C. Gedeon & J. D. Madura
Pages: 825-830
Published online: 31 Jan 2007
AbstractforA novel hybrid simulation for study of multiscale phenomena | Full Text | References | PDF (396.8 KB)
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Article
Computational investigation of pressure profiles in lipid bilayers with embedded proteins
J. Gullingsrud, A. Babakhani & J. A. McCammon
Pages: 831-838
Published online: 31 Jan 2007
AbstractforComputational investigation of pressure profiles in lipid bilayers with embedded proteins | Full Text | References | PDF (305.6 KB)
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Article
Force field comparisons of the heat capacity of carbon nanotubes
C. Y. Guo, B. Montgomery Pettitt & L. T. Wheeler
Pages: 839-848
Published online: 31 Jan 2007
AbstractforForce field comparisons of the heat capacity of carbon nanotubes | Full Text | References | PDF (195.7 KB)
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Article
Constant surface tension molecular dynamics simulations of lipid bilayers with trehalose
R. M. Venable, A. Skibinsky & R. W. Pastor
Pages: 849-855
Published online: 31 Jan 2007
AbstractforConstant surface tension molecular dynamics simulations of lipid bilayers with trehalose | Full Text | References | PDF (264.2 KB)
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Article
An atomistic analysis of incipient metal plasticity during tensile loading
R. S. McEntire & Y.-L. Shen
Pages: 857-867
Published online: 31 Jan 2007
AbstractforAn atomistic analysis of incipient metal plasticity during tensile loading | Full Text | References | PDF (1 MB)
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Article
Prediction of adsorption equilibria of water–methanol mixtures in zeolite NaA by molecular simulation
T. Kristóf, É. Csányi, G. Rutkai & L. Merényi
Pages: 869-875
Published online: 31 Jan 2007
AbstractforPrediction of adsorption equilibria of water–methanol mixtures in zeolite NaA by molecular simulation | Full Text | References | PDF (155.8 KB)
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Article
Depletion interaction in colloid/polymer mixtures: application of density functional theory
X. Chen, J. Cai, H. Liu & Y. Hu
Pages: 877-885
Published online: 31 Jan 2007
AbstractforDepletion interaction in colloid/polymer mixtures: application of density functional theory | Full Text | References | PDF (384.8 KB)
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Article
Simulation study of methanol and ethanol adsorption on graphitized carbon black
G. R. Birkett & D. D. Do
Pages: 887-899
Published online: 31 Jan 2007
AbstractforSimulation study of methanol and ethanol adsorption on graphitized carbon black | Full Text | References | PDF (659.4 KB)
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Miscellany

A molecular mechanics investigation of the structures and energetics of two classes of Ru(II) complexes with applications in homogeneous catalysis
E. J. Palin, G. A. Grasa & C. R. A. Catlow
Pages: 901-929
Published online: 31 Jan 2007
AbstractforA molecular mechanics investigation of the structures and energetics of two classes of Ru(II) complexes with applications in homogeneous catalysis | Full Text | References | PDF (532.3 KB)
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Errata

Correction
Erratum
Page: 931
Published online: 31 Jan 2007
CitationforErratum | Full Text | PDF (20.5 KB)
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