Sentence examples for molecules were included from inspiring English sources
Terpenes, terpenoids and phenylpropanoids molecules were included in the in vitro evaluation, and QSAR models using genetic algorithms were built to identify molecular and structural properties of biological interest.
In some cases (e.g., UO2-oxalate), an increasing number of H2O molecules were included in the model to assess the effects of explicit solvation on the predicted interatomic distances, vibrational frequencies, and NMR chemical shifts.
To be able to detect CTL responses induced by a DNA vaccine in experimental animals, additional epitopes, restricted by mouse and Macaque rhesus major histocompatibility complex (MHC) class I molecules, were included in the target immunogen.
Iterative manual rebuilding and convenient conjugate refinement of structure decreased R- and free R-factors to 19.7% and to 23.9%, respectively, where 130 water molecules were included for the refinement using 14,759 independent reflections from 10 to 2.3 Å resolution.
In addition, 155 water molecules were included in the model.
Cymal-6 detergent molecules were included in the refinement.
Uranyl-carbonate model complexes reproduce experimental EXAFS and NMR results provided explicit solvation (i.e., including H2O molecules) is included.
It was also observed a statistically significant overall increase in accuracy when water molecules are included during docking simulations.
The values of A, I, X inh and ∆N for the modeled molecules are included in Table 7.
As data regarding tuberculosis targets continues to be collated (e.g. 80 molecules are included here in total), we intend to release periodic updates of the app.
The water molecules are included in the coordination sphere of metal ions, simultaneously forming a hydrogen bond with OH- groups of cellulose.
