Sentence examples for basis of computational studies from inspiring English sources
Novel NAMs have been designed on the basis of computational studies focused on the 'hit compound' 3.
The origin of d/l selectivity was discussed on the basis of computational studies on (R -9·saccharide complexes.
The very low level of in vitro HIV inhibition, in comparison to predicted EC50 values on the basis of computational studies, during CEM-GFP screening using AZT as positive control indicated that probably the HIV RT is not the viral target and the molecules work through some different mechanism.
Michl and co-workers synthesized, on the basis of computational studies, a series of surface-mounted rotors.
The kinetic parameters for the "inversion substitution" reactions of Br-containing fire suppressants CH3Br and CF3Br with molecular oxygen CX3Br + O2 → CX3O2 + Br (X = H, F) have been obtained on the basis of computational study carried out by quantum chemistry methods and transition state theory (TST).
These results form the basis for computational studies in the literature about the linear stability of stationary solutions and the potential onset of physical instabilities.
Compounds designed on the basis of extensive computational studies, were finally synthesized through facile synthetic route and characterized using various chromatographic and spectral techniques.
On the basis of quantum mechanical computational studies, the MSCC state is predicted to be the more highly conducting state.
We also describe our preliminary analysis of the human genetic code on the basis of computational methods.
The present study illustrates the computational procedure employed to obtain the three independent elastic constants of the rock-salt CaN, SrN, and BaN from first-principles calculations on the basis of computational implementation of the density functional theory of electronic structure.
On the basis of computational time, on average, the algorithm finds a final solution for the first time within only 13% of complete computational times.
