Sentence examples for use of molecular modeling from inspiring English sources

The relatively small number of crystallized structures suggests PPIS predictions based on structural characteristics may not be helpful when such information is not present; however, the use of molecular modeling could prove useful in mitigating this problem.

We report the use of molecular modeling to predict the oxidation propensity of methionine residues in proteins.

Many Rho kinase 1 and 2 inhibitors have been designed for Rho/Rho kinase pathway by use of molecular modeling studies.

The present work aims to review the use of molecular modeling in the designing of novel pyrazole analogs that may target various receptors such as protein kinase inhibitor, tyrosine kinase, Aurora-A kinase, tumor growth factor (TGF), cyclin dependent kinase (CDK) and fibroblast growth factor (FGF), which are significant for the management of cancer.

In this chapter, the following sections are discussed: the history of NMR spectroscopy, the enaminone derivatives and their NMR, the use of molecular modeling techniques as an adjunct to NMR analysis, and a newer class of compounds, the sulfonamide enaminones and their intermolecular forces determined via NMR and X-ray crystallography.

The use of molecular modeling plays a critical role in the environmental regulatory processes.

A methodology to select specific receptors among all possible pentapeptides randomly generated was represented by the use of molecular modelling software.

The aim of this study was to investigate new polyphthalamides (PPA) through the use of molecular modelling techniques and comparison with experimental data.

The use of molecular models gained special prominence in the middle of the 19th, helping chemists to understand the significance of molecular shape (Brock, 2000).

Although there are some reports on the use of molecular modelling in understanding the mechanism of corrosion inhibition of plant extracts major components on metals and alloys [66, 67, 68], only one report to the best of the authors' knowledge exists on quantum chemical modelling of major components of natural gums [69].

CAMEO URL: http://www.cameo3d.org/ The PMP has been developed to foster effective use of molecular models in biomedical research by providing convenient and comprehensive access to structural information for a specific protein.