Sentence examples for based on docking experiments from inspiring English sources

Several analogues were synthesized based on docking experiments in the ATP binding site of VEGFR2 and their anti-angiogenic potential and ability to inhibit angiogenesis and prostate cancer proliferation, migration and invasion were evaluated using the chick chorioallantoic membrane (CAM) assay, MTT, wound-healing, and Cultrex® BME cell invasion assay models, respectively.

The design was based on docking with mTOR protein.

All compounds were then viewed as docked on the receptor and manual selection was based on docking position to maximize diversity of docking locations on the EGFR dimer.

This is a limitation of classifying compounds based on docking scores.

These residues were chosen either based on docking or Scanprosite results (http://prosite.expasy.org/scanprosite ).org/scanprosite

The library of compounds is initially selected based on docking to the antiparallel β-sheet of Aβ16 21.

The best HADDOCK structure, based on docking and STD scoring, is overlaid with the crystal structure in Figure 4A.

The structure activity relationship (SAR) based on the docking experiments further elucidated the effects of the compounds on the bioactivity and selectivity.

The Mii active site contains the putative catalytic residues Lys62 and Cys96, for which mechanistic roles are proposed based on a docking experiment of the Mii substrate complex.

Our strategy was based on photolabeling experiments with T140 photoanalogs and the resulting in silico docking studies.

Based on molecular modeling experiments and manual docking of each of tricetin, selgin and tricin into the model, several H-bonds can be observed within 1.53 to 2.61Å from the ligands and the functional groups of neighboring residues, and within 4.92 to 6.56Å from the catalytic site SAH-S (Table 1).