Sentence examples for molecular simulation results from inspiring English sources

Molecular simulation results provided a molecular rationale for the anti-BVDV activity of these compounds.

The molecular simulation results agree well with the experimental CO2 adsorption isotherms and heats of adsorption.

These molecular simulation results are consistent with our previous wetlab experiments and aid in interpreting the SHAPE probing measurements.

We present molecular simulation results for the adsorption of a set of hydrocarbons in model zeolite structures of various pore sizes.

The process of ion pairing is discussed and a possibility to reconcile the continuum model (Bjerrum) with molecular simulation results is suggested.

The existence of this limit is suggested by: extrapolation of the experimentally measured boiling temperatures, by critical behavior polymer solutions, by engineering equations of state, and by molecular simulation results.

Molecular simulation result suggests that this unique phenomenon may come from the synergistic effect of the bivalent counterion SO42−.

In this study, the effect of thermal treatment in the temperature range of 25too 100 °C for 15 min on the complex formed by β-LG and carotenoids from sea buckthorn was reported, based on fluorescence spectroscopy, molecular docking and molecular dynamics simulation results.

These findings are discussed based on molecular dynamics simulation results that elucidate the molecular level mechanisms, which provide a basis for the rational design of bionanotechnology-enabled applications such as biomedical devices and nanotherapeutics.

Consistent with molecular simulation, experimental results show that the CD inclusion ability and butanol discrimination ability are dependent on both CD cavity size and butanol molecular size.

These molecular dynamics simulation results qualitatively explained the O2-induced changes in NMR observations.