Barbi Maria, Lepri Stefano, Peyrard Michel, Theodorakopoulos Nikos
Laboratoire de Physique Théorique des Liquides, Université Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex 05, France.
Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Dec;68(6 Pt 1):061909. doi: 10.1103/PhysRevE.68.061909. Epub 2003 Dec 23.
We study the static and dynamical properties of DNA in the vicinity of its melting transition, i.e., the separation of the two strands upon heating. The investigation is based on a simple mechanical model which includes the helicoidal geometry of the molecule and allows an exact numerical evaluation of its thermodynamical properties. Dynamical simulations of long-enough molecular segments allow the study of the structure factors and of the properties of the denaturated regions. Simulations of finite chains display the hallmarks of a first order transition for sufficiently long-ranged stacking forces although a study of the model's "universality class" strongly suggests the presence of an "underlying" continuous transition.
我们研究了DNA在其熔化转变附近的静态和动态特性,即加热时两条链的分离。该研究基于一个简单的力学模型,该模型包括分子的螺旋几何结构,并允许对其热力学性质进行精确的数值评估。对足够长分子片段的动态模拟可以研究结构因子和变性区域的性质。有限链的模拟显示了对于足够长程的堆积力存在一级转变的特征,尽管对该模型“普适类”的研究强烈表明存在一个“潜在的”连续转变。