Sentence examples for by molecular shape analysis from inspiring English sources

HIV-1 integrase inhibitory activity data of styrylquinoline derivatives have been subjected to 3D-QSAR study by molecular shape analysis (MSA) technique using Cerius2 version 4.8 software (Accelrys).

Recovery of ROCS Comboscore analogs was most efficient using 3DAPfp, showing that this ROCS scoring function, which combines shape and pharmacophores, is dominated by molecular shape (Figure 2C).

Subsequently, we scored by molecular shape to rank and further prioritized virtual hits by three-dimensional shape-based alignment.

Ligand-based 3D-QSAR analyses by comparative molecular field analysis (CoMFA), comparative molecular shape indices analysis (CoMSIA) and Field-Based 3D-QSAR evaluated a series of 102 members of this class.

We start with a small k to compute L s) = [ p1,…, p k ] by simple shape analysis.

In a poorly understood mechanism, rogue prions "infect" normal prions by changing their molecular shape from a helix to a flat sheet.

Analogs of the lead compounds were identified by two methods–simple visual examination of structures and selection of similar appearing structures, and an algorithmic approach based on analysis of molecular shape in three dimensions.

These results were further justified by molecular docking analysis.

These morphological observations were further confirmed by molecular markers analysis.

The final diagnosis was confirmed by molecular DNA analysis.

Three genotypes were found by molecular epidemiology analysis.