Sentence examples for hit structure from inspiring English sources

Using ZRANK and version 3.0 of ZDOCK, Pierce and Weng [29] managed to score a hit (structure with i-RMSD<2.5 Å) among the top 100 in more than 50% of the complexes in the benchmark 2.0, while 60% contains a near-hit (structure with i-RMSD<4.0 Å).

SiteHound (Ghersi and Sanchez, 2009) was used to identify any potential ligand binding sites based on the top PDB hit structure.

In order to further estimate the hit-calling performance for different methods we performed data simulation with a-priori known hit structure.

Hit structure elucidation almost always occurs via tandem mass spectrometric (MS/MS) fragmentation analysis, which imposes several significant restrictions on OBOC library design.

Included among these are the pyrazolones, represented by hit structure 1 and lead compound 2. The lead pyrazolone 2 is neuroprotective in a cellular model of ALS using PC12-SOD1G93A cells and increases median survival time in an ALS transgenic mouse model by 13%, confirming its potential as a therapeutic candidate for ALS.

"In this way," he said, "thin acoustic beams are created that can then hit structures like tumors and artery walls".

Based on the hit structures that have been identified in our previous studies against EGFR and HER2, new potential inhibitors that share the same scaffold of the hit structures are designed and screened in silico.

In this study we report the successful application of a structure-based virtual screening strategy for the discovery of natural hit structures able to inhibit Integrase LEDGF/p75 interaction.

In terms of drug design, the specific contribution of our approach has been to use in vivo screenings to find hit structures from a combinatorial chemical library, and to further select the best ligands by virtual screening.

After all, it should be considered that these are hit structures.

Examples for clearly tractable hit structures are 32, 33, and 34, which have been resynthesized.