Sentence examples for minimization of all from inspiring English sources

This included full energy minimization of all hydrogen atom locations (all non-hydrogen atoms were kept frozen).

Energy minimization of all molecules was then performed using the MMFF94x force field at a gradient of 0.01 RMSD (i.e. if the gradient falls below RMSD, the minimization stops).

If objective is the minimization of all products selectivity and the maximization of selectivity of light olefin, the optimal operating conditions as TR = 258 °C, TOS = 375 h and H2/CO = 0.77 mol/mol will be considered.

In a first step we performed minimization of all selected conformers in rigid surrounding protein using MMFF94 force field.

Each iteration in MBA involves Flux Variability Analysis (FVA [ 26]; maximization and minimization of all reactions to calculate flux capacity), which amounts to on the order of 10,000 separate optimizations.

In particular, we provide evidence that trivial discrimination of the native remains a problem in several commonly used decoy collections and that the use of a range of different sets or the minimization of all conformations prior to the analysis is not always sufficient to avoid this problem.

Among patients with COPD the goals of clinical control include: improved exercise tolerance, emotional function, prevention of disease progression and minimization of symptoms, all of which may lead to an increased quality of life [ 10].

(a) In the first step of minimization, all the heavy (all nonhydrogen) atoms were constrained; the hydrogen atoms were allowed to minimize by steepest decent algorithm until the maximum derivative (|dE/dr|) of the system was <1 kcal/(mole · Å ´ ).

Windig et al. [ 8] use minimization of recombinations and all progeny information to phase the haplotypes.

The rationale for the optical parameters were as follows: The wavelength of 810-nm is optimum for light penetration of living tissue due to minimization of absorption by all three major tissue chromophores, hemoglobin, melanin and water.

The agency's recently-disclosed minimization procedures permit "retention of all communications that are enciphered".