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We found that, despite an increase in force variability that was proportional to the force level, the linear scaling of force variability with mean force was preserved during fatigue.
Of this part, the mean force was calculated.
Three consecutive stimuli were applied and the mean force was calculated.
The potential of mean force was calculated by using the weighted histogram analysis method [ 61].
The mean force was defined as the average force exerted in each mask for a single step.
The potential of mean force was then calculated on the output of the 30 simulations after five ns using the a weighted histogram analysis method (g_wham) embedded in the GROMACS software.
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The properties considered, which included radial distribution functions and potentials of mean force, were found to be fairly robust with respect to the different model parameters used [91].
Pulling apart the two helices up to 3.00 nm from each other, potentials of mean force were calculated by umbrella sampling with a view to compare the energy barriers of the mother dimer to the phage display variant.
The entry process of an extracellular ion is examined in the presence of two additional K+ in the pore, and the three-ion potential of mean force is computed using extensive all-atom umbrella sampling molecular dynamics simulations.
The dissociation constant predicted from this potential of mean force is about 1 2 orders of magnitude smaller than that which would be obtained from the extrapolation of experimental measurements at higher densities.
The effective PDC109-PhC association constant of 28 M
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