d'Ovidio Francesco, Bohr Henrik Georg, Lindgård Per-Anker
Mediterranean Institute of Advanced Studies IMEDEA (CSIC-UIB), Campus Universitat Illes Balears, E-07122 Palma de Mallorca, Spain.
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Feb;71(2 Pt 2):026606. doi: 10.1103/PhysRevE.71.026606. Epub 2005 Feb 15.
We study the propagation of solitons along the hydrogen bonds of an alpha helix. Modeling the hydrogen and peptide bonds with Lennard-Jones potentials, we show that the solitons can appear spontaneously and have long lifetimes. Remarkably, even if no explicit solution is known for the Lennard-Jones potential, the solitons can be characterized analytically with a good quantitative agreement using formulas for a Toda potential with parameters fitted to the Lennard-Jones potential. We also discuss and show the robustness of the family of periodic solutions called cnoidal waves, corresponding to phonons. The soliton phenomena described in the simulations of alpha helices may help to explain recent x-ray experiments on long alpha helices in Rhodopsin where a long lifetime of the vibrational modes has been observed.
我们研究孤子沿着α螺旋氢键的传播。用 Lennard-Jones 势对氢键和肽键进行建模,我们表明孤子可以自发出现并具有较长的寿命。值得注意的是,即使 Lennard-Jones 势没有已知的显式解,通过将参数拟合到 Lennard-Jones 势的 Toda 势公式,孤子也可以进行解析表征,且具有良好的定量一致性。我们还讨论并展示了对应于声子的一类周期解——椭圆余弦波的稳健性。在α螺旋模拟中描述的孤子现象可能有助于解释最近在视紫红质中长α螺旋的 x 射线实验,其中观察到了振动模式的长寿命。