Preferential interaction parameters in biological systems by Kirkwood-Buff theory and computer simulation

K-REx Repository

Show simple item record

dc.contributor.author Smith, Paul E.
dc.date.accessioned 2011-09-27T16:34:08Z
dc.date.available 2011-09-27T16:34:08Z
dc.date.issued 2011-09-27
dc.identifier.uri http://hdl.handle.net/2097/12171
dc.description.abstract Recent results concerning the formulation and evaluation of preferential interactions in biological systems in terms of Kirkwood–Buff (KB) integrals are presented. In particular, experimental and simulated preferential interactions of a cosolvent with a biomolecule in the presence of water are described. It is argued that the preferential interaction parameter defined in a system open to both cosolvent and solvent corresponds to the situation most relevant to the analysis of computer simulation results of cosolvent interactions with proteins and small peptides. Hence, KB theory provides a path from quantities determined from simulation data to the corresponding thermodynamic data. en_US
dc.relation.uri http://www.sciencedirect.com/science/article/pii/S0378381206004754 en_US
dc.subject Kirkwood-Buff theory en_US
dc.subject Lysozyme en_US
dc.subject Molecular dynamics en_US
dc.subject Preferential interactions en_US
dc.subject Urea en_US
dc.title Preferential interaction parameters in biological systems by Kirkwood-Buff theory and computer simulation en_US
dc.type Article (author version) en_US
dc.date.published 2007 en_US
dc.citation.doi doi:10.1016/j.fluid.2006.11.003 en_US
dc.citation.epage 19 en_US
dc.citation.issue 1-2 en_US
dc.citation.jtitle Fluid Phase Equilibria en_US
dc.citation.spage 14 en_US
dc.citation.volume 256 en_US
dc.contributor.authoreid pesmith en_US


Files in this item

This item appears in the following Collection(s)

Show simple item record

Search K-REx


Advanced Search

Browse

My Account

Statistics








Center for the

Advancement of Digital

Scholarship

cads@k-state.edu