Vector docking

Variation principle 18, 154, 222 VB (valence bond) model 94 Vector 4 Vector docking 57 Vector potential 294 Vector space 220 Vector, cross product 6 Vector, dot product 5 Vectors, orthogonal 6 Velocity dipole operator 193 Velocity relaxation 253... 

As a result, they are so susceptible to viral and bacterial infections that they rarely survive infancy. In the French scientists research, blood stem cells were removed from an affected child, treated with a retroviral vector carrying a normal docking protein gene, and returned to the child. Nine out of ten children treated in this way developed functional, mature immune system cells, which provided them with protection against infections. News articles proclaimed that a cure had been found. 

Virtual screening was also used to identify the BIR3 domain inhibitors (111). In this case, a library of Chinese herbal remedies was docked into the BIR3 domain in silica, which resulted in selection of natural compound benzoquinone embe-lin (Fig. 4i). Subsequent studies confirmed that embelin binds to the XIAP BIR3 domain, which resulted in the inhibition of its interaction with caspase-9, and induced apoptosis in the prostate cancer cells expressing high levels of XIAP. In stably XIAP-transfected lurkat cells, embelin was shown to overcome the protective effect of XIAP effectively, which enhanced etoposide-induced apoptosis. At the same time, this molecule had a minimal effect in lurkat cells transfected with vector control. 

An identical approach was used by Branca et al. [16] at Merck and led to the identifcationofanovel inhibitor of poly(ADP-ribose) polymerase-1 (PARPl). The 2D descriptors were similar to the CATS all the two-point pharmacophores in each molecule were derived from all possible atom pairs and described in terms of atom types, number of Jt electrons, number of heavy atoms attached, and number of covalent bonds separating the two atoms along the shortest path. Known PARPl inhibitors were collected from patents, publications, and publicly available databases and used to train a support vector machine (SVM) classifier. A SVM constructs the plane that best separates active and inactive compounds in the multidimensional space defined by the molecular descriptors. The results of the SVM were used to classify the compounds in the Merck collection and those predicted to be active were screened. One compound was particularly potent and was chosen as the starting point for a structure-activity relationship (SAR) exploration of this chemical class. Docking studies on the PARPl crystal structure were used to guide the synthetic efforts. 

Thirty-nine hours after Capone had given the goahead to try to capture the Yosemite cloudscoops, two of the three squadrons of ships docked in the asteroids departed. Consensus knew both the vectors of the ships and their arrival time. 

Captain Randol gave a bass chuckle. "I don t know what you did, Alkad," he said loudly. "But they just datavised our docking authority and an approach vector."... 

---