Browsing by Author "Kang, Myungshim"

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Kirkwood–Buff theory of four and higher component mixtures

Kang, Myungshim; Smith, Paul E. (2008)

Explicit expressions are developed for the chemical potential derivatives, partial molar volumes, and isothermal compressibility of solution mixtures involving four components at finite concentrations using the Kirkwood–Buff ...
Molecular dynamics simulations and theory of intermolecular interactions in solutions

Kang, Myungshim (Kansas State University, 2009)

In the study of biological systems, molecular dynamics (MD) simulations have played an important role in providing atomic details for phenomena of interest. The force field used in MD simulations is a critical factor ...
A Pairwise preferential interaction model for understanding peptide aggregation

Kang, Myungshim; Smith, Paul E. (2010)

A pairwise preferential interaction model (PPIM), based on Kirkwood-Buff integrals, is developed to quantify and characterize the interactions between some of the functional groups commonly observed in peptides. The existing ...
Recent applications of Kirkwood–Buff theory to biological systems

Pierce, Veronica; Kang, Myungshim; Aburi, Mahalaxmi; Weerasinghe, Samantha; Smith, Paul E. (2008)

The effect of cosolvents on biomolecular equilibria has traditionally been rationalized using simple binding models. More recently, a renewed interest in the use of Kirkwood–Buff (KB) theory to analyze solution mixtures ...

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