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- Title
High-resolution free energy landscape analysis of protein folding.
- Authors
Banushkina, Polina V.; Krivov, Sergei V.
- Abstract
The free energy landscape can provide a quantitative description of folding dynamics, if determined as a function of an optimally chosen reaction coordinate. The profile together with the optimal coordinate allows one to directly determine such basic properties of folding dynamics as the configurations of the minima and transition states, the heights of the barriers, the value of the pre-exponential factor and its relation to the transition path times. In the present study, we review the framework, in particular, the approach to determine such an optimal coordinate, and its application to the analysis of simulated protein folding dynamics.
- Subjects
PROTEIN folding; TRANSITION state theory (Chemistry); FREE energy (Thermodynamics); COORDINATE covalent bond; MAXIMA &; minima
- Publication
Biochemical Society Transactions, 2015, Vol 43, Issue 2, p157
- ISSN
0300-5127
- Publication type
Article
- DOI
10.1042/BST20140260