Sentence examples for models for inhibitor from inspiring English sources

Molecular modeling using the Site-Identification by Ligand Competitive Saturation (SILCS) approach was used to qualitatively direct ligand design as well as develop quantitative models for inhibitor binding affinity to Mcl-1 and the Bcl-2 relative Bcl-xL as well as for the specificity of binding to the two proteins.

An active site binding model for inhibitors 2a and 2d was suggested based upon the computational-docking results of the ligand with HIV-1 protease.

DWZ carried out the development screening model for inhibitors targeting strand transfer reaction of HIV-1 integrase.

DFT quantum-chemical calculations established a correlation between parameters related to electronic structure and the corrosion inhibition potential of the three corrosion inhibitor molecules BI, 2-CH3-BI, and 2-SH-BI, as well as eight models for each inhibitor molecule.

The investigated acid/base couples are models for corrosion inhibitors in fully formulated protective coatings for mild steel.

In this study, 3D QSAR pharmacophore models for CDC25B inhibitors were developed by the module of Hypogen.

We developed two different 3D-pharmacophore models for substrate inhibitors and blockers, which led to the rational design of novel and potent glutamate and aspartate analogues that selectively interact with excitatory amino acid transporters (EAAT).

Thus, there is an urgent need to develop in-silico models for predicting inhibitors against drug-tolerant M.tb.

Therefore, it is important to develop new theoretical models for predicting inhibitors that would be effective against replicative as well as non-replicative drug-resistant M.tb and could potentially treat active TB patients as well as latently infected individuals.

A number of pharmacophore models for ABCB1 inhibitors have identified features such as hydrophobic interactions, hydrogen bond acceptors, aromatic ring center(s) and positive ionizable groups [40].

We developed classification models for predicting inhibitors using various algorithms/techniques that include IBK, Bayes, Naive Bayes, SVM, and Random forest.