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 ofMean Force（PMF）可用于描述自由能级图（free energy landscape）。沿坐标的PMF是根据平均...
4. Finally, the unbiased potential of mean force (PMF), A, is computed as: A(ξ j ) = − 1 β ln(ρ(ξ j )) +A 0 where j = 1, 2, ··· , M and A 0 is an arbitrary constant. We use A 0 = max{ 1 β ln(ρ(ξ j ))}| M j=1 so that the lowest free ener...
Rating: 2 2 votes What does PMF mean?PMF means Potential Of Mean Force (also Probable Maximum Flood and 270 more) Rating: 1 1 vote What is the abbreviation for Potential Of Mean Force?Potential Of Mean Force is abbreviated as PMF (also POMF)Share...
The potential of mean force (PMF) is the total free energy of a many-body colloidal system, and consequently it includes all the interactions the colloids experience due to collisions with themselves and with the solvent. Here, the PMF of a colloidal dispersion under various circumstances of ...
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 ...
潜在的轨迹SMD模拟得到的平均力(PMF)。 翻译结果2复制译文编辑译文朗读译文返回顶部 平均的力量的潜力 (PMF) 从以 SMD 模拟被获取的轨道。 翻译结果3复制译文编辑译文朗读译文返回顶部 平均力 (PMF) 从用 SMD 模拟取得的轨迹的潜力。 翻译结果4复制译文编辑译文朗读译文返回顶部 潜在的意味着部队(PMF)获得从轨迹与...
The c-terminal end-to-end stretching of the lysozyme–antibody complex structures have been studied using potential of mean force (PMF) calculations based on molecular dynamics (MD) and explicit water model. For the lysozyme–antibody complex, there are six important intermediates in the c-...
Calculation of the potential of mean force from molecular dynamics simulations using different methodologies: An application to the determination of the bi... We report here the calculation of the potential of mean force (PMF) of the Ca2+鈥 O ion pair in the gas phase and in water using mol...
In this work, the many-body effect in potential of mean force (PMF) between like-charged nanoparticles in various salt solutions has been comprehensively examined by Monte Carlo simulation and the nonlinear Poisson-Boltzmann theory. Our calculations show that, at high 1:1 salt, the PMF is ...