Words similar to docked
Example sentences for: docked
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The van der Waals, bond, angle, dihedral, and improper dihedral parameters for all the ligands were adopted from the Hetero-compound Information Centre-Uppsala HIC-Up http://xray.bmc.uu.se/hicup [ 55 ] . The water molecule under the flaps present in all complexes was included in all steps throughout this study except for 1hvr, where the structural water was removed in the preparation of the protease to be docked with the ligand (the ligand of 1hvr, which is a urea-based inhibitor, does not bind a water molecule in this position).
7) docked near regions corresponding to amino acid residues 361-392 (indicated in red) and 386-417 (indicated in purple).
In order to address the accuracy of our model of the RAR-α binding pocket, we docked Am580, an RAR-α specific agonist [ 19], into the receptor (the chemical structure of Am580 is shown Fig.
Intermolecular energy criteria were used to select the lowest energy docked CTAP.
The entire gp120 surface was considered for docking acetylated and phthaloylated cellotetraose (CTAP) except the trimerization and CD4 binding sites on gp120 [ 13 ] . The two optimally docked CTAP molecules were selected for further analyses.