Sentence examples for by a computational study from inspiring English sources

Each algorithm is followed by a computational study on benchmark problems that analyze the computational behavior of the presented algorithms.

Needless to say the clues provided by a computational study like ours need in any case to be thoroughly evaluated experimentally.

The feasibility of exploring high-dimensional functional landscapes with the help of molecular systems biological models has been demonstrated by a computational study that investigated the sloppiness of parameter sensitivities.

The stereochemical outcome of the proposed steps has been verified by both a computational study and the synthesis of a model system.

The analytical results have been validated by conducting a computational study based on 2-D axi-symmetric viscous compressible flow formulation with turbulence in FLUENT.

The mechanism of the asymmetric reduction of ketones was extensively discussed by Noyori in a computational study in 2001, which proposed that the reaction proceeds via six-membered transition states (TSs) in the outer coordination sphere of ruthenium [3].

In a first comprehensive attempt at sketching an atlas of DNA drug energetics, we present here a detailed thermodynamic view of minor-groove recognition by small molecules via a computational study on 25 DNA drug complexes.

To understand the mechanism of the extractive desulfurization by the phosphonium ionic liquid, a computational study consisting of structural investigations, interaction energy, NBO, AIM and EDA analysis on the type and nature of the interaction between dibenzothiophene (DBT) and the prepared ionic liquid was also performed.

Importantly, a computational study by Hegyi and Tompa concluded that they do not constitute preferred chaperone targets.

Structures of the newly synthesized compounds were elucidated by elemental analysis, spectral data and a computational study.

An interesting alternative was proposed by the Yu group, who conducted a computational study of Tunge's N-alkyl pyrrole formation.