Potential of mean force calculation of solute molecules in water by a modified solvent-accessible sur- face method. J Comp Chem 1997;18:1656 -1663.Fukunishi, Y. and Suzuki, M., Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method, ...
Potential of mean force calculation of the free energy of adsorption of Type I winter flounder antifreeze protein on iceA1. AdsorptionA1. BiocrystallizationA1. Computer simulationB1. Biological macromoleculesAntifreeze proteins (AFPs) are a unique class of proteins that inhibit ice growth without ...
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...
Potential of Mean Force (PMF)Calculations using the Weighted Histogram Analysis Method(WHAM) Raymond Atta-Fynn,Eric J.Bylaska, and Wibe A.de Jong Paci,c Northwest National Laboratory,Richland WA 99352C o nt e nt s 1 Notations 3 2 WHAMequations 3 3 Using the WHAM equations in computer ...
potential of mean force的计算原理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...
Categories Most relevant abbreviation categories for PMF as Potential Of Mean Force: 1 Potential 1 Calculation 1 Energy 1 Dynamics 1 Technology 1 Chemistry 1 DisciplineMore PMF Meanings Review alternative meanings of PMF abbreviation: Probable Maximum Flood Progressive Massive Fibrosis Polarization ...
要用Lammps里面的colvars模块，具体看Lammps手册 constrained molecular dynamics早就过时了，现在根本没人用...
The 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 charges ei and ej at their centres while the solvent molecules ...
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 ...
d. a. statistical mechanics. 维基百科也有很简短的解释 http:///wiki/potential_of_mean_forcegoogle...