Sentence examples for by refinement with from inspiring English sources
Schrödinger's knowledge-based method was used, followed by refinement with the Protein Preparation Wizard [73].
Pharmacophore model was generated using 17 structurally diverse molecules using DISCOtech followed by refinement with GASP module of Sybyl X.
Remarkable improvement in the model quality was achieved by refinement with autoBUSTER through implementation of local structure similarity restraints (LSSR) [38] and manual building using Coot [40].
The starting search has been performed in the range of 40 70 degrees with a step of 3° followed by refinement with the found minima with 1° step.
For the hDmc1-dsDNA filament images the search has been performed in the range of 30 70 degrees with a step of 3° followed by refinement with the found minima with 1° step.
Manual model adjustments were carried out in Coot followed by refinement with Refmac and Phenix.
The inferred networks were then refined by refinement algorithms with different models of gene duplications and losses.
It is shown that semisolid magnesium slurries containing fine and spherical particles are obtainable directly from the liquid state without agitation, via effective control of nucleation and growth by grain refinement with zirconium.
Rigid body refinement was followed by restrained refinement with REFMAC5 [35].
Two cycles of manual rebuilding of the proteinase models on a graphic workstation using TurboFRODO (Bio-Graphics, France), followed by positional refinement with CNS resulted in significant improvement of the electron density maps.
Its energy function was modified as described above with the HINT energy term, whose weight, wHINT, was manually optimized (to minimum Rfree) by performing refinement with incremental values between 10 and 100 (the trivial wHINT = 0 case is the native CNS protocol).
