Exact(25)
These four effects are referred to as the controlled direct effect (CDE), reference interaction effect (INT ref ), mediated interaction effect (INT med ); and pure mediated (or indirect) effect (PIE).
The three-dimensional "reference interaction site model" (3D-RISM) integral equation theory is a statistical-mechanical approach to predict liquid state structural and thermodynamic features.
We have complemented the singlet reference interaction site model for the electric double layer by quantum chemical calculations for the interaction of ions and solvents with an electrode.
We here present novel methodology for computing binding free energies and their analytical dependence on chemical properties based on the so-called solute-solute equation of the reference interaction site model (RISM) [3].
The "embedded cluster reference interaction site model" (EC-RISM) [1] retains the granularity of the solvent and represents a microscopically more detailed and therefore improved approach towards solvation modeling.
A suitable methodology is provided by integral equation theories, in particular the "embedded cluster reference interaction site model" (EC-RISM) [2,3] that combines statistical-mechanical 3D RISM integral equation theory and quantum-chemical calculations self-consistently.
Similar(35)
Determine the R elements (m, n) whose value is < 0 in the reference PADIF (favourable reference interactions).
The PADIF based scoring obeys the following scheme: 1. Determine the R elements (m, n) whose value is < 0 in the reference PADIF (favourable reference interactions). 2.
Such set of trusted reference interactions should have a sufficient size which allows for statistically reliable predictions, no systematic bias, and be as reliable as possible.
Additionally, we tested the integrated interactome, along with the three individual interactomes, on the second, independent reference interactions from above (HPRD non-in vivo interactions, MIPS CORUM, and IntAct).
Furthermore, the accuracy of reference interactions within complexes is significantly higher than the overall accuracy of the Y2H system.
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