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The scoring functions traditionally used for assessment derived directly from physical principles or from the properties of known protein conformations.
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Only reactant protonation enthalpies and the activation energies of the considered reaction families, are estimated by model regression to experimental data acquired on a bifunctional Pt/H-ZSM-5 catalyst, while the remaining parameters are determined from first principles or retrieved from literature information.
These conditions can be used either for solving for an EOS from first principles or for a systematic development of empirical EOS.
The extraction of active principles or oils from vegetable products by means of an appropriate solvent is a classical unit operation in chemical engineering.
Sarah Taylor (@saturngirl) No mention so far of principles or integrity from the nun yet, luckily #r4today #leadership #banking December 31 , 2013Anna Luise (@anna_luise) Am I losing my hearing or did Barclays CEO just compare himself to a nun? #r4today December 31 , 20138.25am GMT The prestigious ten past eight slot on Today is devoted to the deadlock in the Northern Ireland peace talks.
Therefore, it is difficult to generalize the findings from one study to other settings (inferential generalization) and to draw theoretical propositions, principles, or statements from the findings of a study for more general application (theoretical or analytical generalization) [ 126, 127].
A class of QICs is the set of underlying improvement principles or concepts from which individual QICs are derived and to which we would like to generalise from the individual QICs that are observed.
At bottom the apology trope — and Republican exploitation of it — arises not from metaphysical principles or historical interpretation, but from politics.
There is beauty, he says, "In the Knowledge of some great Principles, or universal Forces, from which innumerable Effects do flow.
Thus, demonstration in psychology was thought to borrow its principles or starting points from physics, the higher science to which it is subordinated, with its conclusions in turn supplying principles for demonstrations in the more specialized studies of sensation and animal locomotion.
Managers of 57 % of sites had done, or were aware of, a "simple" vulnerability assessment for the site (either a basic assessment for the site itself based on general ecological principles, or drawing information from external assessments done for nearby sites or for the overall area in which the site was located).
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