Characterization of the denaturation of human alpha-lactalbumin in urea by molecular dynamics simulations.

Molecular dynamics (MD) simulations were used to characterize the non-cooperative denaturation of the molten globule A-state of human alpha-lactalbumin by urea. A solvent of explicit urea and water molecules was used, corresponding to a urea concentration of approximately 6M. Three simulations were...

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Bibliographic Details
Main Authors: Smith, L, Jones, R, van Gunsteren, W
Format: Journal article
Language:English
Published: 2005