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Example sentences for: ctap
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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.
The second best docking positioned CTAP near the V3 loop (marked as Dock2 in Fig.
The docking simulations of CTAP were performed using the DockVision program [ 30 ] on the entire surface of the gp41 core structure {The X-ray crystal structure of the gp41 core, 1aik, was retrieved from the protein databank http://www.rcsb.org}.
A cellulose chain consisting of one cellotetraose unit (composed of four 1,4-linked β-D-glucose units) was created in Quanta [ 22 ] and 50% of the hydroxyl groups at positions 2- and 3- were modified to acetyl ester and 25% of the hydroxyl groups at position 6 were modified to phthaloyl ester [ 1 23 ] . The acetylated and phthaloylated cellotetraose structure (CTAP) was minimized by the steepest descent method followed by the adopted basis Newton-Raphson (ABNR) method.
CTAP interacts primarily through several hydrogen bonds with gp120 residues K362, N386, Q389, N392 and T394.
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