potential of mean force的计算原理 平均力势能( Potential of Mean Force,PMF)的计算原理是通过对体系的平均力势能作平均场近似而得到的。 具体来说,PMF方法分析了纳米颗粒在液体中的热泳反向机理,并得到液体中悬浮纳米颗粒出现反向热泳的判据为颗粒表面的平均力势由负转正。此时,界面处的自由能势垒较高,颗粒...
potential of mean force 青云英语翻译 请在下面的文本框内输入文字,然后点击开始翻译按钮进行翻译,如果您看不到结果,请重新翻译! 翻译结果1翻译结果2翻译结果3翻译结果4翻译结果5 翻译结果1复制译文编辑译文朗读译文返回顶部 潜在的平均力 翻译结果2复制译文编辑译文朗读译文返回顶部...
ai play with them happily 我愉快地使用与他们 [translate] a价格是按每卷来算 The price is calculated according to each volume [translate] apotential of mean force (PMF) from trajectories obtained with SMD simulations. 卑鄙力量(PMF)潜力从弹道获得以SMD模仿。 [translate] ...
While making the physicochemical models as clear as possible, the advantages of using the methods of "potential of mean force" are stressed and formulas for using these methods are given by making use of the second order reduced density matrices. 在尽力澄清统计方法背后的物理化学模型的同时,强调...
The potential of mean force (PMF) as a function of the distance between the COMs of PSI monomers.Dref C. De MouraBrian C. BryksaRickey Y. Yada
The potential of mean force (PMF) is determined as a function of the normal distance between the particle and the substrate's surface. The presence of the substrate induces a layered structure of the LC, which in turn greatly influences the PMF. We analyze the structure of the Saturn ring ...
potential analysischarged hard spherespoint dipolescontinuum limitThe potential of mean force Wij between two solute ions in a dipolar solution at infinite solute dilution is investigated using a potential analysis. The ions are taken to be charged hard spheres of radii ai and aj with point charge...
Simulating the Physical World: Free energy, entropy and potential of mean force A recently proposed extension of the Pratt-Chandler (PC) theory of the hydration of non-polar solutes has been applied to the calculation of solute-solute radial distribution functions, gaa(r)s. The difference between...
potential of mean force; molecular recognition; protein interfaces; salt bridges; hydrophobic interaction; protein crystallization; contact patches Abstract A surv... S Dasgupta,GH Iyer,SH Bryant,... - 《Proteins Structure Function & Bioinformatics》 被引量: 42发表: 2015年 Computational Methods for ...
又称作Knowledge-based potentials,最早是PDB中用于分析蛋白质结构的打分函数。该方法最早可以追溯到1985年的quasi-chemical approximation,之后又发展了potential of mean force (PMF)方法。 https://pubs.acs.org/doi/pdf/10.1021/ma00145a039 https://doi.org/10.1016%2Fs0022-2836%2805%2980269-4 ...