Molecular Simulation, Volume 28, Issue 8-9 (2002)

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Molecular Simulation, Volume 28, Issue 8-9 (2002)

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Miscellany

Guest editorial
Ian Snook
Pages: 727-728
Published online: 26 Oct 2010
CitationforGuest editorial | PDF (32.7 KB)
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Original Articles

Article
Multiscale simulation in polymer science
Kurt Kremer & Florian Müller-Plathe
Pages: 729-750
Published online: 26 Oct 2010
AbstractforMultiscale simulation in polymer science | References | PDF (503.3 KB)
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Article
Potential fields and barriers to diffusion in narrow cylindrical capillaries
Tim S. Jakubov & David E. Mainwaring
Pages: 751-759
Published online: 26 Oct 2010
AbstractforPotential fields and barriers to diffusion in narrow cylindrical capillaries | References | PDF (127.6 KB)
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Article
Nearest neighbour considerations in Stillinger-Weber type potentials for diamond
A.S. Barnard, S.P. Russo & G.I. Leach
Pages: 761-771
Published online: 26 Oct 2010
AbstractforNearest neighbour considerations in Stillinger-Weber type potentials for diamond | References | PDF (128.6 KB)
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Article
The structure of N δ -( N ′-sulfodiaminophosphinyl)- l -ornithine and its binding to ornithine transcarbamoylase: A quantum chemical study
Naomi L. Haworth & George B. Bacskay
Pages: 773-790
Published online: 26 Oct 2010
AbstractforThe structure of N δ -( N ′-sulfodiaminophosphinyl)- l -ornithine and its binding to ornithine transcarbamoylase: A quantum chemical study | References | PDF (290.8 KB)
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Article
A simple model of the hydrophobic effect for molecular simulation of interfacial phenomena
Marco La Rosa, Carl H. Schiesser, Alfred Uhlherr, Calum J. Drummond, Keith Moody & Robert Bohun
Pages: 791-806
Published online: 26 Oct 2010
AbstractforA simple model of the hydrophobic effect for molecular simulation of interfacial phenomena | References | PDF (252 KB)
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Article
DFT modelling of hydrogen on Cu(110)- and (111)-type clusters
Michelle J.S. Spencer & Graeme L. Nyberg
Pages: 807-825
Published online: 26 Oct 2010
AbstractforDFT modelling of hydrogen on Cu(110)- and (111)-type clusters | References | PDF (223.8 KB)
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Article
The solution structures of the HIV protease inhibitor DG35-VIII
Jason Dang, Susan Blandford, Maruse Sadek, D. Grobelny & Robert T.C. Brownlee
Pages: 827-843
Published online: 26 Oct 2010
AbstractforThe solution structures of the HIV protease inhibitor DG35-VIII | References | PDF (231.3 KB)
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Article
Comparison of the transmembrane helices of bovine rhodopsin in the crystal structure and the C α template based on cryo-electron microscopy maps and sequence analysis of the G protein-coupled receptors
Siavoush Dastmalchi, Felix J. Kobus, Tiina P. Iismaa, Michael B. Morris & W. Bret Church
Pages: 845-851
Published online: 26 Oct 2010
AbstractforComparison of the transmembrane helices of bovine rhodopsin in the crystal structure and the C α template based on cryo-electron microscopy maps and sequence analysis of the G protein-coupled receptors | References | PDF (105.8 KB)
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Article
The use of ionisation constants of amino acids for protein signal analysis within the resonant recognition model--application to proteases
Elena Pirogova & Irena Cosic
Pages: 853-863
Published online: 26 Oct 2010
AbstractforThe use of ionisation constants of amino acids for protein signal analysis within the resonant recognition model--application to proteases | References | PDF (114.9 KB)
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