Sentence examples for use of molecular modelling from inspiring English sources
The aim of this study was to investigate new polyphthalamides (PPA) through the use of molecular modelling techniques and comparison with experimental data.
A methodology to select specific receptors among all possible pentapeptides randomly generated was represented by the use of molecular modelling software.
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].
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.
The use of molecular modeling plays a critical role in the environmental regulatory processes.
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).
We report the use of molecular modeling to predict the oxidation propensity of methionine residues in proteins.
Previously with the use of molecular modeling, we have shown that stable C60-DNA complex is formed after C60 fullerene binding with DNA [5].
Many Rho kinase 1 and 2 inhibitors have been designed for Rho/Rho kinase pathway by use of molecular modeling studies.
As the attention for drugs' HLA liability is on the rise, we believe this work participates in encouraging the use of molecular modeling for reliably studying and predicting HLA drug interactions.
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.
