Sentence examples for molecular structure from from inspiring English sources

By means of classical Molecular Dynamics we obtain the conformation of each lowest-energy molecular structure from which we derive more than a thousand of structural descriptors necessary for building predictive QSAR models.

What makes flu so hard to prevent is that the virus changes its molecular structure from year to year.

It is a deceptive, shapeshifting mass: from some angles it has echoes of a crystalline molecular structure; from others it looks like a matted tangle of hair pulled from the plughole.

Their optimised molecular structure from DFT studies evidences twisted geometry which brings non-planarity and prevents π-π stacking interactions.

The synthetic creation deviates only slightly in molecular structure from the natural version and bonds with the scales, filling in where the natural sheath has been damaged.

These diagrams can be understood as viewing a molecular structure from either a "side-on" (Dash-Wedge) or an "end-on" (Newman) perspective.

First, they retrieved candidate molecular structures from PubChem using exact mass.

Fig. 2 Computational steps workflow for extracting re-computable molecular structures from PDF articles as implemented in ChemEngine.

An important application arises in the conformation of molecular structures from nuclear magnetic resonance data (see [2] and [3]).

The interface part permits the automatic reading of the molecular structures from the output files of different electronic structure codes.

Some chemical elements are able to compose a range of different molecular structures from the same type of atoms a unique feature known as "allotropy".