Sentence examples for calculations implemented from inspiring English sources

This method of charge analysis provides a means of estimating partial atomic charges from calculations implemented by computational chemistry packages.

SA carried out the calculations, implemented and tested the scoring functions, developed the Java-based program and prepared the manuscript.

An efficient algorithm for L∞-norm calculations, implemented in the SLICOT Library, is described and compared with other available algorithms.

The Coulomb energy calculations implemented in the supercell program uses the Ewald summation algorithm, which achieves considerably increased accuracy as compared to a simple truncation for long-range potentials with (1/r) asymptotic behavior.

The Response Factors (RF) method sets the base for related dynamic calculations implemented by most well-known Building Energy Simulation (BES) software, and it represents a research topic of present interest.

A major effort has been devoted to optimizing the computation speed using state-of-the-art algorithms for the time-consuming parts of the calculations implemented in the core of the program using the C programming language.

For all the subsequent calculations implementing various demographic models (see below) the subtype specific rate was employed as mean fixed rate for models enforcing a strict molecular clock, and as mean fixed rate with exponentially distributed evolutionary rates as prior for models enforcing a relaxed molecular clock [34].

Consequently, we use the pK a calculation implemented within the University of Houston Brownian Dynamics suite of programs [28] to calculate whether or not a titratable residue should be protonated or not at a specific pH (see [29, 30] for details of the calculation).

Brain activation clusters were corrected for multiple comparisons using the continuous random field calculation implemented in SPM2.

The continuous random field calculation implemented in SPM2 was used to correct the significance of the activation clusters for multiple comparisons.

This approach is \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\sim }100$$\end{document} ∼ 100 times faster than the conventional solvent accessible surface area (SASA) calculation implemented in VMD.