Sentence examples for the conformation used from inspiring English sources
The conformation used in this study was the full length, native, closed structure referred to as Glu-plasminogen.
On the basis of the lateral area of the membrane region where aggregation of PIP2 lipids have been predicted from our CGM minimization and assuming a = 65 Å for the area per lipid headgroup, we estimated from the distribution pattern in Figure 3B that the number of PIP2 lipids sequestered by STX in the conformation used in these initial CGM calculations is between one and two.
The LigandScout program was used to generate the conformations, using the BEST conformation model generation method.
To explore an astronomically large search space and to evaluate the conformations using a real energy model are a big challenge for existing search algorithms in PSP.
It must be noticed that, although an effort has been made to stick to the fragmentary structural data available, the starting conformation used for the hydrophilic loops correspond, at most, to an energetically reasonable conformation.
All inhibitor conformations in Clusters 1 3 have one ammonium group forming a salt bridge to Asp370, although this group was placed away from Asp370 but close to Glu257 in the initial conformation used in the MMDSs.
According to the results from MD simulations the ΔF508-NBD1 ΔF508-NBD1conformation ustructureirtual sconformationdocking frame) protocol was usedservable in the WT-NBD1 trajectories (Wieczorek & Zielenkiewicz, 2008).
A lower bound on the energy of a conformation (used by the A* enumeration) is computed as a sum of lower bounds on pairwise interactions (Georgiev et al., 2006).
We only score the complex in the given conformation using the force fields.
Hence, we only determined the total protein content in the probed volume instead of attempting to quantify the protein conformation using the second derivative or peak deconvolution.
Reaction of the distal dialdoxime, immobilized in the cone conformation, using Zn/TiCl4 afforded a calixarene with a 1,2-diaminoethane bridge and possessing meso stereochemistry.
