Molecular Simulation, Volume 31, Issue 11 (2005)

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Molecular Simulation, Volume 31, Issue 11 (2005)

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Miscellany

Modified Wolf electrostatic summation: Incorporating an empirical charge overlap
Y. Ma & S. H. Garofalini
Pages: 739-748
Published online: 12 Apr 2011
AbstractforModified Wolf electrostatic summation: Incorporating an empirical charge overlap | Full Text | References | PDF (784.6 KB)
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Original Articles

Article
A continuum-atomistic method for incorporating Joule heating into classical molecular dynamics simulations
Clifford W. Padgett & Donald W. Brenner
Pages: 749-757
Published online: 12 Apr 2011
AbstractforA continuum-atomistic method for incorporating Joule heating into classical molecular dynamics simulations | Full Text | References | PDF (1,000.7 KB)
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Article
Connectivity effects for slit pores linked by a channel
V. V. Sizov, E. M. Piotrovskaya & E. N. Brodskaya
Pages: 759-763
Published online: 12 Apr 2011
AbstractforConnectivity effects for slit pores linked by a channel | Full Text | References | PDF (227.1 KB)
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Article
Design of a folding inhibitor of the HIV-1 protease
G. Tiana, R. A. Broglia, L. Sutto & D. Provasi
Pages: 765-771
Published online: 12 Apr 2011
AbstractforDesign of a folding inhibitor of the HIV-1 protease | Full Text | References | PDF (501.1 KB)
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Article
Accelerating all-atom protein folding simulations through reduced dihedral barriers
R. G. Endres
Pages: 773-777
Published online: 12 Apr 2011
AbstractforAccelerating all-atom protein folding simulations through reduced dihedral barriers | Full Text | References | PDF (1.5 MB)
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Article
Electron states of semiconductor quantum ring with geometry and size variations
I. Filikhin, E. Deyneka, H. Melikyan & B. Vlahovic
Pages: 779-785
Published online: 12 Apr 2011
AbstractforElectron states of semiconductor quantum ring with geometry and size variations | Full Text | References | PDF (382.6 KB)
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Article
Shear viscosity and thermal conductivity of quadrupolar real fluids from molecular simulation
G. A. Fernández, J. Vrabec & H. Hasse
Pages: 787-793
Published online: 12 Apr 2011
AbstractforShear viscosity and thermal conductivity of quadrupolar real fluids from molecular simulation | Full Text | References | PDF (305.7 KB)
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