论文标题
广义兰格文模式分析（GLMA），用于在生物分子的不均匀领域中水的局部密度波动
Generalized Langevin Mode Analysis (GLMA) for Local Density Fluctuation of Water in an Inhomogeneous Field of a Biomolecule
论文作者
论文摘要
一种想法，是基于广义的langevin方程（GLE）提出的，在生物分子周围的不均匀环境（例如蛋白质和DNA）周围的不均匀环境中的波动模式或/和和/和和/和和/和和/和/和/和/和/和/和/和/和/和/和/和/和/和/和/和/和。这个想法是解决水的集体频率矩阵的特征值问题，该问题的物理含义与连接的谐波振荡器的情况下类似于Hessian矩阵。基质的对角线化给出了生物分子周围水的密度波动的模式和频率。该处理是Chong and Hirata在2008年在同质环境中为水制造的自然扩展，在该环境中，作者发现了四种密度波动的模式。一种用于声学模式，另一种用于光学模式。这是新方法的重点，即如何由生物分子的场调节密度波动的模式和频率。该方法提供了一种用颜色区分波动方式的方法。 还提出了理论方法在包括医学在内的生命科学问题的一些可能的应用。
An idea to analyze the fluctuational mode or/and spectrum of water molecules in an inhomogeneous environment around a biomolecule such as protein and DNA is proposed based on the generalized Langevin equation (GLE) for water interacting with a biomolecule. The idea is to solve an eigen-value problem of the collective frequency matrix of water, which has a physical meaning similar to the Hessian matrix in the case of a connected harmonic-oscillator. The diagonalization of the matrix gives the mode and frequency of the density fluctuation of water around the biomolecule. The treatment is a natural extension of that made for water in a homogeneous environment by Chong and Hirata in 2008, in which the authors have found the four modes for density fluctuation; one for an acoustic mode, and the other three for optical modes. It is the point of the new approach how the mode and frequency of the density fluctuation are modulated by the field from the biomolecule. The method provides a way to distinguish the mode of fluctuation with color. A few possible applications of the theoretical approach to problems of the life science including medicine are also proposed.
