Sentence examples for docking model of the from inspiring English sources
Thus, the docking model of the GrxS14 dimer is valid.
First, we used a docking model of the irreversible inhibitor, Nafamostat, bound to the active site of HGFA in order to explore structure activity relationships (SAR).
A series of PI3K-beta selective inhibitors, imidazo[1,2-a]-pyrimidin-5(1H -ones, has been rationally designed based on the docking model of the more potent R enantiomer of TGX-221H -onesified by a chasal separation, in a PI3K-been homology model.
The authors thank Dr. Martin Scanlon in Monash University for providing the molecular docking model of the LFABP-ANS complex.
In addition, a docking model of the tertiary structure of BACE1 with bisected N-glycans showed that all glycans lie apart from the catalytic center (Supplementary Fig S4C).
(A – C ) The docking model of the ectodomain with chitooctaose shown in surface (A ) and ribbon form (B ) and a close-up surface (C ).
The docking studies also provide some useful information that the docking models of the 13 compounds are beneficial to find a new path for designing novel EGFR inhibitors.
DOI: http://dx.doi.org/10.7554/eLife.06866.026 We used the ClusPro server (http://cluspro.bu.edu/login.php) to produce an ensemble of molecular docking models of the BH PTEN complex based on shape complementarity and interaction surface characteristics.
Predictions were also made for docking models of the B. subtilis α2β2 complex prepared by in silico alignment of the subunit models with the E. coli class Ia RNR globular docking model and the elongated X-ray structure of the S. typhimurium class Ib holo-RNR.
A docking model of one of the peptides bound to the antibody 93F3 diketone complex was created using a sequential divide-and-conquer peptide docking strategy; the model suggests that the peptide interacts with both the antibody and the ligand through a delicate hydrogen bonding network.
MD simulation of KCNQ2 was started from the homology model of KCNQ2, and simulation of the complex started from the docking model of ztz240 to the KCNQ2 homology model.
