Sentence examples for mean force analysis from inspiring English sources

The potential of mean force analysis further characterized the free energy barriers between these two states.

The adsorption behavior of nanoparticles is explained using the potential of mean force analysis.

The assembly process is investigated by using the potential of mean force analysis and the significance of the enthalpic and entropic contributions is described.

In this work, molecular dynamics (MD) simulations, cross-correlation analysis, potential of mean force (PMF) calculation, dynamical community analysis and free energy calculation were performed to investigate the allosteric inhibition mechanism of a macrocyclic peptide MaD5 on PfMATE.

On the basis of a published in vitro experimental study by Erdemir et al. in 2004 [ 20] combined with a two-dimensional static force analysis, a mean osteotomy angle relative to the horizontal plane was determined to be 33°(± 8)° in a small group of lower leg preparations (N = 7).

The force analysis was validated by means of the finite element (FE) analysis using the ABAQUS package.

Based on the analysis of the potential of mean force between adjacent protofilaments, we found the optimal arrangement of protofilaments, which is in good agreement with other studies.

Molecular dynamics simulations combined with a variation of the Weighted Histogram Analysis Method for potential of mean force determination are applied to characterize localized structural changes for the test case of cytosine (underlined) base flipping in a GTCAGCGCATGG DNA duplex.

The potential of mean force was calculated by using the weighted histogram analysis method [ 61].

Based on two-dimensional static force analysis of the hindfoot, a mean force ratio of 0.54 (SD 0.08) was determined between the PA and AT, and a mean osteotomy angle of 33.0° (S.D. 4.0°) was calculated.

The robustness of the structure was monitored through analysis of plots of the Anolea mean force potential [99] and GROMOS [100] empirical force field energy, as implemented in the workspace.