Sentence examples for molecular simulation study from inspiring English sources

A molecular simulation study of hydration in heterogeneous nanopores.

Trzpit, M. et al. The effect of local defects on water adsorption in silicalite-1 zeolite: a joint experimental and molecular simulation study.

Liu, B. & Smit, B. Comparative molecular simulation study of CO2/N2 and CH4/N2 separation in zeolites and metal-organic frameworks.

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.

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.

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

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