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.

Analysis, Phase transformations (Statistical physics), Phase transitions (Physics), Molecular dynamics, Buckminsterfullerene

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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.

Science & research, Research, Protein binding, Electrolyte solutions, Lysozyme

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