Cosolvent interactions with biomolecules: Relating computer simulation data to experimental thermodynamic data
Article Abstract:
A major difficulty often encountered when the effects of cosolvents on the structure of biomolecules is studied by computer simulation is an inability to relate the simulation relate the simulation results to experimental thermodynamic data. The way in which quantitative thermodynamic data can be extracted from a computer simulation of a biomolecule in a cosolvent solution is described.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Molecular dynamics simulations of the properties of cosolvent solutions
Article Abstract:
The physical and dynamical properties of sodium chloride, guanidinium chloride, urea, and 2,2,2-trifluoroethanol solutions are investigated as a function of coslovent concentration using molecular dynamics simulations. The results highlight significant differences and similarities between the effects of guanidinium chloride and urea cosolvents.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Local chemical potential equalization model for cosolvent effects on biomolecular equilibria
Article Abstract:
A simple model for describing the effects of cosolvent on biomolecular equilibria in solution is presented. The model is developed using the Kirkwood-Buff theory of solutions and relates changes in the chemical potential of the cosolvent.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
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