Sentence examples for rationalize structure from inspiring English sources

GPCR models can be successfully used in structure-based drug design programs, giving reasonable docking hypothesis that in conjunction with experimental testing can support programs in the hit discovery and lead optimization phases, providing a structural framework to rationalize structure based relationships and even serving as tools for virtual high-throughput screening.

The early phases of drug discovery use in silico models to rationalize structure activity relationships, and to predict the activity of novel compounds.

Therefore, as an important component of the observed binding affinity, a molecular understanding of the conformational changes upon receptor binding that a ligand undergoes could be harnessed to rationalize structure-activity relationships and design ligands with better affinity.

The quantitative data obtained in this study might contribute to construct further improved manufacturing strategies for highly rationalized structures as alternative joint bearings for hip and knee arthroplasty applications and also to minimize the time-consuming manufacturing trials.

thermal behaviors, absorption spectra have been conducted to rationalize their structure in solution phase.

The dipole moment is an important parameter to find out the electronic distribution in a molecule and is used to rationalize the structure.

Finally, we propose new extra systematization rules, not considered up to now in neither of these theoretical approaches, to overcome the observed limitations to properly rationalize the structure of this so technologically important family of oxides.

One of the Hong Kong manufacturers we met with has HR leaders and recruiters in every one of the companies they acquired over the last ten years, and they have been reluctant to consolidate or rationalize this structure because it would alienate the local leaders.

Sequence alignments of all known Tetrahymena metallothioneins have allowed us to rationalize the structure of these proteins.

In addition, missense mutations that cause mitochondrial HMGCS deficiency have been mapped onto the hHMGCS2 structure to rationalize the structural basis for the disease pathology.

Notably, the country needs to complete its cooperation with the International Criminal Tribunal for former Yugoslavia (ICTY) in The Hague and press ahead with stalled constitutional reforms designed to strengthen and rationalize state structures.