Sentence examples for molecular modeling is from inspiring English sources

To visualize such a process, molecular modeling is particularly useful.

The outstanding question in terms of molecular modeling is how accurately these observations can be represented by DFT calculations.

Furthermore, a good consistency between contour maps and molecular docking strongly demonstrates that the molecular modeling is reliable.

In this article, the recent development of molecular modeling is critically highlighted for gas and liquid separations in MOFs.

Molecular modeling is used to explain how various substituents such as esters and ethers cause this phenomenon.

Our approach to hybrid molecular modeling is based on the ideas of the group function approximation, first suggested by McWeeny [1] and further elaborated in [2].

All molecular modeling was carried out using the software, MOE [49].

Molecular modeling was performed and structure activity relationships are discussed.

The molecular modeling was performed for all the synthesized compounds.

Molecular modeling was undertaken to rationalize these results.

Molecular modeling was used to define chiral recognition by FPR2.