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These observations are not consistent with interpretations based on Derjaguin Landau Verwey Overbeek (DLVO) calculations of interaction energies.
Direct calculations of interaction energies are possible for solutes – K, Na and Sc – that lower the Mg prismatic stacking fault energy to improve formability.
To mitigate multicollinearity, the predictor variables were mean-centered for calculations of interaction terms [ 40].
49 For this we applied an algorithm (Fig. 5) that computationally ana lyzes the interaction strength of myosin at the coiled coil motif by three-dimensional modeling using MODELLER 50 followed by retrospective calculations of interaction energies at the coiled coil interface using COILCHECK.
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The result had recently been strengthened, he said, by new calculations of interactions between quarks, which are notoriously difficult to compute.
In addition, the initial compilation was based on theoretical calculations of interactions between all oligonucleotide probes and PCR fragments.
The PM6 method with dispersion interactions corrections and interactions with halogens corrections differs from ab initio methods by less than 10% in energy calculations of interactions with halogens.
In the literature on gene-environment and gene gene interactions, there is no definite agreement on which computational methods for calculations of interactions are most appropriate in which contexts [ 15– 17].
To provide structural benchmarks for theoretical calculations of interactions, we report the NMR solution structures of five tandem AG internal loops and compare them to the previously solved 5′C AGG/3′G GAC loop structure (23).
Parameters used for calculation of interaction energy between P. putida and quartz sand surface.
In this work, we use Langevin dynamics and Monte Carlo simulation methods for calculation of interaction systems.
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