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