Sentence examples for molecular simulation studies from inspiring English sources

Molecular simulation studies were applied to optimize the adsorption structures of triazole derivatives.

Molecular simulation studies assess the mucoadhesivity of the U-D-WAF to the oramucosa.

Furthermore, the binding mode of the active compound 7d was rationalized by molecular simulation studies.

The binding mode of compound 4a was investigated by molecular simulation studies.

Further elucidation of data was done by molecular simulation studies to evaluate the interaction behavior between BSA and rivaroxaban.

Previous molecular simulation studies of nanoconfined hydrocarbon phase behavior have been limited to single pore size models.

Rekvig and Frenkel [1] reported a molecular simulation study of the mechanism of droplets covered with a surfactant monolayer coalesce.

We perform a molecular simulation study on methane and carbon dioxide storage in carbon nanoscrolls.

This work presents a molecular simulation study of plasma-polymerized polyaniline iodine compounds.

We report a molecular simulation study to investigate a helical peptide (β-adrenoceptor) confined in two metal-organic frameworks (MOFs) namely IRMOF-74-II and -III.

As a team project, a molecular simulation study of thermally activated localized motions in polysaccharides, such as cellulose and dextran is required to determine the molecular origin of their secondary relaxations and the influence of polar solvents on these relaxations.