Sentence examples for model of compound from inspiring English sources

In conclusion, we simulated a model of compound 1 in RMs.

A 3-D model of compound 2e was built and pre-optimized by Chem3D (version 12.0.2) software (ChemBioOffice 2010 Suite).

In this paper we present a working model of Compound Parabolic Collector (CPC) system for the application of process steam generation.

peak and hole 0.232 and-0.172 e.A-3 Figure 1 The ORTEP diagram of the final X-ray model of compound 5 with displacement ellipsoids drawn at 30% probability level.

Using the docking model of compound 1 bound to PKCθ as a model, structure-based drug design was employed and two regions were identified that could be explored for further optimization, i.e., (a) a hydrophilic region around Thr442, unique to PKC family, in the inner part of the hinge region, and (b) a lipophilic region at the forefront of the ethyl moiety.

Indeed, some of the rather beautiful polarising microscopy textures observed are shown in the graphic in the Table of Contents, together with a space-filling model of compound 12. Non-standard electroconvection has also been reported in 4-chloro-1,3-phenylene bis-4-[4′- 9-decenyloxy benzoyloxy]benzoate. bis-4-[4′- 9-decenyloxy benzoyloxy]benzoate

Elemental models of compound processing predict a preference for the non-trained stimulus AC while configural models predict a preference for the trained stimulus BC.

Here, we report the synthesis and evaluation of novel 6-aminopurine derivatives and present molecular docking models of compound 81 with CDK2 and CDK5.

We performed molecular modeling of compound 1 with the STAT3 SH2 domain in order to further understand the mode of binding.

Modelling of compound activities revealed overrepresentation of protease inhibitor like pharmacophores in the DAS subset and ion channel/PDE inhibitor and GPCR agonist like structures in the mSS subset.

A QSAR F model serves to assess whether the explicit inclusion of the cell line information improves the prediction of compound activity; if the PGM model displays a performance very similar to the QSAR F model, the inclusion of cell line information would add little benefit to the modelling of compound activity.