Empirical Optimization of Interactions between Proteins and Chemical Denaturants in Molecular Simulations

Chemical denaturants are the most commonly used perturbation applied to study protein stability and folding kinetics as well as the properties of unfolded polypeptides. We build on recent work balancing the interactions of proteins and water, and accurate models for the solution properties of urea a...

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Veröffentlicht in:	Journal of chemical theory and computation 2015-11, Vol.11 (11), p.5543-5553
Hauptverfasser:	Zheng, Wenwei, Borgia, Alessandro, Borgia, Madeleine B, Schuler, Benjamin, Best, Robert B
Format:	Artikel
Sprache:	eng
Schlagworte:	Chlorides Computer simulation Construction Denaturation Mathematical models Models, Molecular Molecular Dynamics Simulation Peptides Peptides - chemistry Polypeptides Protein Denaturation Proteins Proteins - chemistry Urea - chemistry
Online-Zugang:	Volltext
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