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Nonequilibrium kinetics of neutral atoms confined in a harmonic potential

✍ Scribed by K.J. Coakley


Book ID
104341365
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
833 KB
Volume
234
Category
Article
ISSN
0378-4371

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✦ Synopsis


The nonequilibrium behavior of neutral atoms confined in a harmonic potential is simulated by a Monte Carlo method. Atoms obey Maxwell-Boltzmann statistics. Initially, the probability distribution function (pdf) for each of the three energy components, Ex, Ey and Ez, is taken to be a truncated exponential with cutoff Ec. Collisions between atoms are simulated assuming s wave scattering in the center-of-mass frame. Because the energy distributions in the three different dimensions were indistinguishable, all three energy components are assumed to have the same pdf. The time-varying pdf for the energy components is modeled as a mixture of two pdf's. Each of the two pdf's in the mixture is a truncated exponential; one applies to energies below the cutoff, the other pdf applies to energies above the cutoff. Each truncated exponential is characterized by a time-dependent decay parameter. A statistical model for the time-dependent decay parameters, and a mixture parameter, is developed.


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The ensemble folding kinetics of the FBP
✍ Jiabin Xu; Lei Huang; Eugene I. Shakhnovich 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 743 KB

## Abstract In this work, we apply a detailed all‐atom model with a transferable knowledge‐based potential to study the folding kinetics of Formin‐Binding protein, FBP28, which is a canonical three‐stranded β‐sheet WW domain. Replica exchange Monte Carlo simulations starting from random coils find