Sentence examples for molecules considered in from inspiring English sources
This file contains a list of the PC Substance ID for small molecules considered in this study.
Chemical structures of 2- 2-benzimidazolyl -4 phenylazo) phenol (BPP_1–7) molecules considered in this study are shown in Fig. 1.
An inspection of Additional file 1: Tables S4A S6A of the ESI reveals that for MN12SX and N12SX density functionals, the results for glyoxal and methylglyoxal are larger than for the other molecules considered in this work, in agreement with the experimental results [2].
Thus, in this study, molecular dynamics simulation studies were performed to predict the binding energies of these azole derivatives on copper surface and to show whether there is a remarkable correlation between experimental inhibition efficiencies and binding energies for molecules considered in this study.
The distribution of the RMSD and ComboT CT-opt accuracies for these 157 structures are shown in Figure 13, and their average and median values are compared in Table 3, with those from the 197 molecules considered in the study by Hawkins et al. [18] [The ComboT CT-opt accuracy is identical to the Tanimoto Combo in their study].
Table 2 presents the initial number of molecules considered in the cell for the simulation.
In the present study, the particular values of the LogP, POL, and Etot indices are given in Tables 1 and 2, reported using the semiempirical PM3 method for each molecule considered in the trial and test series, respectively.
Targeted molecular therapy is a new paradigm in cancer treatment, in which drugs selectively interfere with molecules considered important in oncogenesis.
Binary systems of supercritical fluids and nonpolar molecules are considered in this paper.
The study of this simultaneous congruence led to the conclusion that when the adsorption of neutral molecules is considered in terms of the two electrical variables a much more convenient picture of the behaviour of the interface is obtained.
An α-helical region of protein molecule was considered in a model of nanotube.
