Sentence examples for geometric restraints from inspiring English sources
Optimization of fuels for the maximum thrust to drag ratio or specific impulse must consider the linkage of geometric restraints on the selection of fuel materials.
In general, hydrogen atoms are first placed using local geometric restraints and then their positions are optimized by conformational search guided by an energy function[18], [20], [21], [22], [23], or by heuristic approaches[19], [24].
This difference is most likely due to the geometric restraints imposed by the aromatic group in the positiontiof of JTH-NB72-39 (whish is either a Gly or an Ala in all other PLM inhibitors [39], [40]).
This improves the generation of geometric restraints in refinement.
This routine includes the satisfaction of spatial and geometric restraints and a very fast dynamic annealing.
Geometric restraints can be typically provided by low resolution electron density maps or experiments such as cross-linking disulfide scanning, mutagenesis or FRET.
Results show that all eight TKR designs tested elicited statistically different measures of tibial/femoral kinematics, simulated soft tissue loading, and implant geometric restraint loading during an identical simulated gait cycle, and that these differences were a direct result of TKR design alone.
Geometric restraint libraries, used in refinement for modified bases, were generated using CCP4 programs Library Sketcher and libchek to create dictionary files.
Third, the rebuilt structure model is refined again with the same parameter settings as the last step of the conservative refinement, but with three different geometric restraint weights: the optimal weight from the conservative optimization phase, a slightly tighter restraint weight and a slightly looser restraint weight.
With the exception of the secondary structure assignment program DSSP, which only employs hydrogen bonding information [ 8], a dozen structure assignments programs using geometric features of local substructures and C α atoms have been proposed [ 3, 9] and programs that employ hydrogen bonds and geometrical restraints have also been applied [ 7].
Hydrogen atoms on oxygen atoms were located from difference maps and refined isotropically with geometric AFIX restraints of 0.85-0.95 Å. Powder X-ray diffraction (PXRD) was measured on a X' Pert Pro MPD Philips Corporationn, Holland, Netherlands).
