Electrostatics, Poisson-Boltzmann model, Implicit solvent, Force field, Molecular dynamics, BiomoleculesElectrostatics plays a crucial role in determining the structures and functions of biomolecules. Implicit solvent models based on the Poisson鈥揃oltzmann (PB) theory have enjoyed numerous successes in a...
Although this approximation is essentially from the simplifying of non-linear Poisson-Boltzmann equation in the . 虽然这是对Poisson-Boltzmann方程在高电位情况下进行非线性简化的一个结果,然而由于它和低电位时的电位变化特点是相似的,所以适用于低电位条件下相互作用力和相互作用能的计算。6) Poisson Boltzmann...
The Poisson Boltzmann (PB) cell model of polyelectrolyte solution has been used for numerical calculations of the change in electrostatic free energy, Gel, for transformations between different structural forms (tri-, double-, and single-stranded) of the polyribonucleotides poly(rA)-poly(rU)2, ...
and the protonation behavior in the protein environment is purely electrostatic in origin. Calculations of the relevant electrostatic free energies are based on the Poisson-Boltzmann (PB) model of the protein-solvent system and the finitedifference solution to the corresponding PB equation. The resultan...
本文给出了用于求解Poisson方程的四阶差分型格子Boltzmann模型,应用定常的格子Boltzmann方程和空间多尺度展开,得到了截断误差是四阶精度的Poisson方程.数值例子表明,该模型在精度上较相应的二阶模型有所提高. A four-order difference type lattice Boltzmann model is employed to investigate the Poisson equation in thi...
hard interactions and rigid spheres model. The ingenuity of the new iteration method is III that when the beginning condition is satisfied, the iteration can continue, and the itera- tive sequence is monotonous. we have proved that the Cauchy problem of the Boltzmann equation, with cut-off...
3) Poisson model Poisson模型 1. My tutorial brings in M/G/1 queuing model to get the reaching time and waiting time from the background of Local Area Networks by the Poisson Model and Pareto Model,and then we can calculate the technical index of Local Area Networks. 然后,通过Poisson...
The results presented in this article should provide a useful reference to determine a priori if the cell model can be expected to predict accurately an equation of state for a given set of physicochemical parameters. 展开 关键词: Quantitative Assessment Accuracy Poisson?Boltzmann ...
Electroosmotic microfluidics has many promising applications in microsystems. However, the simulation and analysis of electroosmotic flows have always been large challenges especially for complex geometries. By introducing a high-efficiency lattice Poisson-Boltzmann method, this contribution presents the latest ...
5) Poisson-Boltzmann model Poisson-Boltzmann模型6) Poisson regression Poisson回归模型 1. Poisson regression and Grey Model(GM(1,N))were used to analyze the correlation between hypospadias and environmental data. 方法:利用已收集的全国 31个省市 1988～ 1992年和 1996～2 0 0 0年的男性尿道下裂...