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All the small molecules for molecular docking were minimized with the smart minimizer setting under the force field of CHARMM [ 48].
We call this objective function weighted interference minimization, where the interference is minimized with the weight of the SINR of the weakest UT in each iteration.
The models were energy minimized with the program CNS (in vacuo, 1200 cycles of conjugate gradient minimization with hydrogen bond restraints, non-bonded cutoff 13 Å) [25].
Dilution from the substrate was minimized with the aid of multi layered coatings.
Sampling errors can be minimized with the use of fine solids and sampling at as high a velocity as possible.
The results show that the choice of discount significantly alters bidders' efforts on emission mitigation, and emission control cost can be minimized with the proposed optimization algorithm.
Under current drought frequencies, A. bibullatus' probability of extinction was minimized with the most frequent management, since open habitats promote recruitment.
She said that in order to have a direct effect on industry, however, the theory would have to take into account nasty realities like friction between the particles (which was minimized with the stainless steel disks), humidity and other atmospheric conditions, and the three-dimensional nature of most hopper flows.
Because many of the current instruments that are used to assess nonhuman primates can be used in the clinical setting, cross-species extrapolation issues can be minimized with the appropriate use of this animal model.
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After Rietveld refinement, the positions of the H atoms were energy-minimized with the unit-cell parameters and the positions of the non-H atoms kept fixed.
The ionic strength of the solution was set to 100 mM with NaCl, and the hydrated structures were energy-minimized with the steepest descent algorithm prior to equilibration under the NPT ensemble conditions, wherein the number of atoms (N), pressure (P), and temperature (T) within the system were kept constant.
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