Molecular Simulation, Volume 32, Issue 14 (2006)

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Molecular Simulation, Volume 32, Issue 14 (2006)

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Original Articles

Article
Quantum mechanics study on the selectivity of alkali metal cations by a novel fluorescent chemosensor
J.-W. Shen, T. Wu, Y.-G. Wang & Q. Wang
Pages: 1123-1129
Published online: 11 Jan 2007
AbstractforQuantum mechanics study on the selectivity of alkali metal cations by a novel fluorescent chemosensor | Full Text | References | PDF (351.8 KB)
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Article
Docking and binding mode analysis of aryl diketoacids (ADK) at the active site of HCV RNA-dependent RNA polymerase
J. Kim & Y. Chong
Pages: 1131-1138
Published online: 11 Jan 2007
AbstractforDocking and binding mode analysis of aryl diketoacids (ADK) at the active site of HCV RNA-dependent RNA polymerase | Full Text | References | PDF (339.1 KB)
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Article
Conformational analysis of stiff chiral polymers with end-constraints
J. S. Kim & G. S. Chirikjian
Pages: 1139-1154
Published online: 11 Jan 2007
AbstractforConformational analysis of stiff chiral polymers with end-constraints | Full Text | References | PDF (318 KB)
  • 200 Views
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Article
Comparison of NMR and MD N–H bond order parameters: example of HIV-1 protease
D. S. Kanibolotsky, O. S. Ivanova & V. V. Lisnyak
Pages: 1155-1163
Published online: 12 Jan 2007
AbstractforComparison of NMR and MD N–H bond order parameters: example of HIV-1 protease | Full Text | References | PDF (362 KB)
  • 113 Views
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Article
Statistical mechanics approach to inhomogeneous van der Waals fluids
Shiqi Zhou
Pages: 1165-1177
Published online: 11 Jan 2007
AbstractforStatistical mechanics approach to inhomogeneous van der Waals fluids | Full Text | References | PDF (378.2 KB)
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Article
Predictive modeling of self assembly of chromonics materials
S. Mohanty, S.-H. Chou, M. Brostrom & J. Aguilera
Pages: 1179-1185
Published online: 11 Jan 2007
AbstractforPredictive modeling of self assembly of chromonics materials | Full Text | References | PDF (619.8 KB)
  • 97 Views
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Article
Computation of densities, bulk moduli and glass transition temperatures of vinylic polymers from atomistic simulation
N. Metatla & A. Soldera
Pages: 1187-1193
Published online: 12 Jan 2007
AbstractforComputation of densities, bulk moduli and glass transition temperatures of vinylic polymers from atomistic simulation | Full Text | References | PDF (193.2 KB)
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Article
Computational analysis of DNA photolyases using digital signal processing methods
E. Pirogova, V. Vojisavljevic, Q. Fang & I. Cosic
Pages: 1195-1203
Published online: 11 Jan 2007
AbstractforComputational analysis of DNA photolyases using digital signal processing methods | Full Text | References | PDF (345.8 KB)
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