Phase and glass transitions in short-range central potential model systems: The case of C(sub 60)
Article Abstract:
Extensive molecular dynamics simulations show that a short range central potential, suited to model C(sub 60), undergoes a high temperature transition to a glassy phase characterized by the positional disorder of the constituent particle. The effective hard-core exclusion plays an important role in a short role potential well suited to model various fullerenes and mode coupling theory calculations for the onset of the glass transition in a short range model of a globular protein solutions leads to low value of decay potential parameters.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Selective ion binding by protein probed with the statistical mechanical integral equation theory
Article Abstract:
The theoretical result for the ion binding by human lysozyme is presented on the basis of the three-dimensional--reference interaction site model theory. The ion distribution around the wild type, Q86D, A92D, and Q86D/A92D mutants in several electrolyte solutions, KCl, NaCl and Ca[Cl.sub.2] are also evaluated.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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