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• W2059626488 startingPage "9344" @default.
• W2059626488 abstract "Molecular dynamics (MD) simulations have been employed to address the structural changes of lysozyme (LYZ) in vacuo driven by Coulomb forces associated with multiple protonation, as occurs in electrospray ionization. Some general features which emerged from this MD study are that sufficiently high charge states drove significant unfolding and reshaping of the tertiary structure, while domain and secondary structures survived to some extent. Generally, higher charge was required to effect denaturation in comparison with experimental observations. Other physical factors not presently included in the model, viz., high internal energy, may be required to reduce the barrier for driving the unfolding process." @default.
• W2059626488 created "2016-06-24" @default.
• W2059626488 creator A5040615574 @default.
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• W2059626488 date "1998-10-27" @default.
• W2059626488 modified "2023-10-09" @default.
• W2059626488 title "Proteins in Vacuo. Denaturation of Highly-Charged Lysozyme Studied by Molecular Dynamics Simulations" @default.
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• W2059626488 doi "https://doi.org/10.1021/jp982543p" @default.
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