Emergence of effective temperatures in an out-of-equilibrium model of biopolymer folding

被引:1
作者
Ancona, Marco [1 ]
Bentivoglio, Alessandro [1 ]
Caraglio, Michele [2 ]
Gonnella, Giuseppe [3 ,4 ]
Pelizzola, Alessandro [5 ,6 ]
机构
[1] Univ Edinburgh, Sch Phys & Astron, SUPA, Peter Guthrie Tait Rd, Edinburgh EH9 3FD, Midlothian, Scotland
[2] Univ Innsbruck, Inst Theoret Phys, Technikerstr 21A, A-6020 Innsbruck, Austria
[3] Univ Bari, Dipartimento Fis, I-70126 Bari, Italy
[4] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy
[5] Politecn Torino, Dipartimento Sci Applicata & Tecnol, Corso Duca Abruzzi 24, I-10129 Turin, Italy
[6] Ist Nazl Fis Nucl, Sez Torino, Via Pietro Giuria 1, I-10125 Turin, Italy
关键词
STATISTICAL MECHANICAL THEORY; PROTEIN CONFORMATION; DYNAMICS; SYSTEMS; THERMODYNAMICS; KINETICS; ENTROPY; PHYSICS;
D O I
10.1103/PhysRevE.103.062415
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We investigate the possibility of extending the notion of temperature in a stochastic model for the RNA or protein folding driven out of equilibrium. We simulate the dynamics of a small RNA hairpin subject to an external pulling force, which is time-dependent. First, we consider a fluctuation-dissipation relation (FDR) whereby we verify that various effective temperatures can be obtained for different observables, only when the slowest intrinsic relaxation timescale of the system regulates the dynamics of the system. Then, we introduce a different nonequilibrium temperature, which is defined from the rate of heat exchanged with a weakly interacting thermal bath. Notably, this "kinetic" temperature can be defined for any frequency of the external switching force. We also discuss and compare the behavior of these two emerging parameters, by discriminating the time-delayed nature of the FDR temperature from the instantaneous character of the kinetic temperature. The validity of our numerics are corroborated by a simple four-state Markov model which describes the long-time behavior of the RNA molecule.
引用
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页数:15
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