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Percolation-like phase transitions in network models of protein dynamics
- Source :
- The Journal of Chemical Physics. 142:215105
- Publication Year :
- 2015
- Publisher :
- AIP Publishing, 2015.
-
Abstract
- In broad terms, percolation theory describes the conditions under which clusters of nodes are fully connected in a random network. A percolation phase transition occurs when, as edges are added to a network, its largest connected cluster abruptly jumps from insignificance to complete dominance. In this article, we apply percolation theory to meticulously constructed networks of protein folding dynamics called Markov state models. As rare fluctuations are systematically repressed (or reintroduced), we observe percolation-like phase transitions in protein folding networks: whole sets of conformational states switch from nearly complete isolation to complete connectivity in a rapid fashion. We analyze the general and critical properties of these phase transitions in seven protein systems and discuss how closely dynamics on protein folding landscapes relate to percolation on random lattices.
- Subjects :
- Models, Molecular
Random graph
Protein Folding
Quantitative Biology::Biomolecules
Phase transition
Markov chain
Chemistry
Proteins
General Physics and Astronomy
Molecular Dynamics Simulation
Directed percolation
Markov Chains
Phase Transition
ARTICLES
Percolation theory
Percolation
Protein folding
Continuum percolation theory
Statistical physics
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 142
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi.dedup.....a1bf3043c97fb3435e2be6548ea23f9d