Equilibrium dialysis data and the relationships between preferential interaction parameters for biological systems in terms of Kirkwood-Buff integrals
Article Abstract:
An experimental data is formulated in terms of Kirkwood-Buff (KB) theory, resulting in equations that provide a simple physical picture of the dialysis experiment and the interaction of a cosolvent with a biomolecule. The results are used to establish exact relationship between preferential interaction coefficients, defined in different ensembles using different concentration scales, in terms of KB integrals.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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The effects of internal water molecules on the structure and dynamics of chymotrypsin inhibitor 2
Article Abstract:
NMR studies of the internal matter molecules on molecules on the structure and dynamics of chymotrypsin inhibitor 2 (C12) indicates that the reactive loop residues are quite rigid (high order parameters). The internal water molecules of C12 appear to be essential for maintaining the structure of the reactive loop, even though they are spatially well removed from the loop itself.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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A combined simulation and Kirkwood-Buff approach to quantify cosolvent effects on the conformational preferences of peptides in solution
Article Abstract:
A combination of molecular dynamics (MD) and the Kirkwood-Buff (KB) theory is used to study the effect of salts on the simple model of an equilibrium process. The results demonstrate the potential of a combined simulation and KB approach to understand the effects of cosolvents on the thermodynamics of biomolecules in solution.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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