Words similar to docked
Example sentences for: docked
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Efforts to solve the crystal structure of one of the metallo-β-lactamases with a bound substrate molecule have failed, most likely due to the high activity of the enzymes towards all β-lactam containing antibiotics [ 37 54 ] . Therefore, computational studies have been used extensively to study substrate binding, the role of the Zn(II) ions in catalysis, the protonation state of the active site, and inhibitor binding [ 37 42 55 56 57 58 59 ] . All of the substrate binding models have made assumptions before the substrate was docked into the active site [ 37 42 ] , and some of these assumptions have been shown to be invalid for certain substrates [ 43 ] . With L1, two key assumptions were made: (1) the bridging hydroxide functions as the nucleophile during catalysis and (2) Zn 1 coordinates the β-lactam carbonyl [ 37 ] . With these assumptions and after energy minimizations, Ser224 was predicted to hydrogen bond to the substrate carboxylate [ 37 ] , reminiscent of the role predicted for Lys224 in CcrA [ 42 ] . Ullah et al.
The procedure followed was similar than previously described [ 8]: each flexible ligand of the Available Chemicals Directory (MDL Information Systems, San Leandro) was docked automatically into the combination of potential maps described above, and assigned a score according to its fit with the receptor.
The procedure followed for each ligand was similar than the grid docking previously described [ 21 ] : each flexible ligand of the ChemDiv public library (ChemDiv Inc., San Diego) was docked automatically into the combination of potential maps described above, and assigned a score according to its fit with the alpha4-beta2 nAChR.
Fort Point Channel divides Downtown from South Boston (confusingly to the east) and here, docked by one of the rusty bridges across the channel, Beaver II looks anachronistic.
Breaking a 16-year silence about Natalie Wood's mysterious drowning death, actor Christopher Walken says that nothing unusual took place the night she disappeared off her docked yacht, the Star reports.
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