For the structure calculation the SHELX suite was used [ 35].
We describe the modules already available in CosmoSIS, including camb, Planck, cosmic shear calculations, and a suite of samplers.
Calculations using a suite of Kd values from experimental hydrothermal data from Nankai Trough sediments (You et al. 1996) also gave similar results.
The players association in the past has also complained that the N.H.L. excluded from its revenue calculation money paid for suites at arenas, an issue that Levitt said was carefully studied.
We conclude from our suite of calculations in ringwoodite that increased concentration of defects significantly enhances proton migration in the crystal, consistent with the concentration-dependent electrical conductivity (Huang et al. 2005).
Next, the combination of the QPLD with MM-generalized-born/surface area (MM/GBSA) calculations from the Schrödinger Suite was used to obtain ligand receptor complexes, as this approach is suitable to describe the anisotropy of the electron density of halogen atoms, which is a key feature during halogen bond examination [32].
Since this degradation depends both on the number of impacts and the extent of the individual localized damage, we have conducted a suite of calculations designed to understand the dependence of localized surface damage on mass and velocity of the impactor.
Then, we performed a suite of calculations for length, N-terminal, and sequence outliers for each protein compared to reference proteins: 1) Average ungapped sequence identity over the first 30 and 100 residues, flagging proteins with identity < 50%, Z-score of identity greater than +/−2.
Consequently, we use the pK a calculation implemented within the University of Houston Brownian Dynamics suite of programs [28] to calculate whether or not a titratable residue should be protonated or not at a specific pH (see [29, 30] for details of the calculation).
For this purpose, validation calculations were performed for a suite of benchmarks from the International Handbook of Evaluated Criticality Safety Benchmark Experiments.
Specialist advice was taken and a suite of power calculations, based upon expected prevalence of gingival bleeding at follow-up (the primary outcome measure), was carried out.
