Predicting stabilizing mutations in proteins using Poisson-Boltzmann based models: study of unfolded state ensemble models and development of a successful binary classifier based on residue interaction energies.

Abstract excerpt

In many cases the stability of a protein has to be increased to permit its biotechnological use. Rational methods of protein stabilization based on optimizing electrostatic interactions have provided some fine successful predictions. However, the precise calculation of stabilization energies remains challenging, one reason being that the electrostatic effects on the unfolded state are often neglected. We have...

Topics

• Hydrogen-Ion Concentration
• Kinetics
• Models, Molecular
• Mutation
• Osmolar Concentration
• Protein Unfolding
• Proteins
• Temperature
• Thermodynamics