Sentence examples for sampling calculations from inspiring English sources

(C) The probability density function of Na+ coordination by Glu704 (green), Asp375 (red) and Glu701 (blue) in all windows of the umbrella sampling calculations, respectively.

Three interesting windows in the umbrella sampling calculations are labeled as a, b and c on the curve, with representative structures shown aside.

The binding affinities between the inhibitor and Aβ as well as the inhibitor to itself have been estimated using Umbrella Sampling calculations.

To elaborate further on this topic, classical molecular dynamics simulations, combined with umbrella sampling calculations and weighted histograms method analysis are applied to reconstruct the free energy profile for several water-oil-amphiphile models along a relocation coordinate normal to the interface.

Subsequently, umbrella sampling calculations [41] were performed along the reaction pathway in windows starting from the corresponding optimized structures.

Population proportions were considered in the sampling calculations.

Sample Calculations In Clinical Correlations, an internal medicine blog of New York University, Dr. Judith Brenner demonstrated the power of the FRAX tool.

In the following sample, calculations are given.

Sample calculations are presented for distributions approximating commercial petroleum fuels.

Sample calculations demonstrate the accuracy of the weight algorithm.

Mathematical details are provided and sample calculations performed, based on a number of simplifying assumptions.