Effects of High Temperature on Desolvation Costs of Salt Bridges Across Protein Binding Interfaces: Similarities and Differences between Implicit and Explicit Solvent Models

• Published in: The journal of physical chemistry. B Vol. 116; no. 8; pp. 2561 - 2567
• Main Authors: Salari, Reza, Chong, Lillian T
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 01.03.2012
• Subjects: Analogies; Binding; Costs; Fluid dynamics; Mathematical models; Models, Molecular; Outliers (statistics); Protein Binding; Proteins; Proteins - chemistry; Salts - chemistry; Solubility; Solvents; Solvents - chemistry; Temperature

The role of salt bridges in protein–protein binding is largely determined by the costs of desolvating the oppositely charged members of the salt bridge upon binding. On the basis of Poisson–Boltzmann (PB) implicit solvent calculations, it has been proposed that the reduced desolvation penalties of s...