The Nature of the Enthalpy–Entropy Compensation and “Exotic” Arrhenius Parameters in the Denaturation Kinetics of Proteins
Abstract
:1. Introduction
2. Results
2.1. “Completely Loose” Transitionj State Theory Model
2.2. Polyglycine Monomer and Dimer Structure
2.3. The Enthalpy–Entropy Compensation
3. Discussion
3.1. The Enthalpy–Entropy Compensation
3.2. “Exotic” Values of Pre-Exponential Factor
3.3. Extrapolation of the Results of the Unfolding of Polypeptides and Proteins with Other Amino Acid Composition
3.4. Extrapolation of the Results of the Unfolding of Polypeptides and Proteins in Water and Other Solvents
4. Materials and Methods
4.1. Quantum-Chemical Calculations
4.2. Transition State Theory Calculations
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Appendix A
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Baklanov, A.V.; Kiselev, V.G. The Nature of the Enthalpy–Entropy Compensation and “Exotic” Arrhenius Parameters in the Denaturation Kinetics of Proteins. Int. J. Mol. Sci. 2023, 24, 10630. https://doi.org/10.3390/ijms241310630
Baklanov AV, Kiselev VG. The Nature of the Enthalpy–Entropy Compensation and “Exotic” Arrhenius Parameters in the Denaturation Kinetics of Proteins. International Journal of Molecular Sciences. 2023; 24(13):10630. https://doi.org/10.3390/ijms241310630
Chicago/Turabian StyleBaklanov, Alexey V., and Vitaly G. Kiselev. 2023. "The Nature of the Enthalpy–Entropy Compensation and “Exotic” Arrhenius Parameters in the Denaturation Kinetics of Proteins" International Journal of Molecular Sciences 24, no. 13: 10630. https://doi.org/10.3390/ijms241310630