论文标题
生物聚合物折叠模型中有效温度的出现
Emergence of effective temperatures in an out-of-equilibrium model of biopolymer folding
论文作者
论文摘要
我们研究了在随机模型中扩展温度概念的可能性,以使RNA/蛋白质折叠以平衡驱动。我们模拟小RNA发夹的动力学,受到时间依赖的外部拉力。首先,我们考虑了波动散动的关系(FDR),仅当系统最慢的固有松弛时间尺度调节系统动力学时,我们才能验证不同可观察物的各种有效温度。然后,我们引入了不同的非平衡温度,该温度是根据与弱相互交流的热浴的热速率定义的。值得注意的是,可以针对外部切换力的任何频率定义此“动力学”温度。我们还通过将FDR温度的时间延迟性质与动力学温度的瞬时特征区分开来讨论和比较这两个新兴参数的行为。我们的数字的有效性通过一个简单的四态马尔可夫模型来证实,该模型描述了RNA分子的长期行为。
We investigate the possibility of extending the notion of temperature in a stochastic model for the RNA/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 4-state Markov model which describes the long-time behaviour of the RNA molecule.