Sentence examples for using the linear interaction from inspiring English sources

A fragment-based virtual screening approach was used, employing docking followed by molecular dynamics simulations in order to enable binding free energy calculations using the linear interaction energy method.

The loss of affinity to Plasmodium falciparum PM4, which was experienced upon the move of the P1 substituent, was rationalized by the calculation of inhibitor protein binding affinities using the linear interaction energy method (LIE).

Table 5 shows the gap in VAS and the contribution to the gap by differences in prevalence and severity effects, and the interaction among both, using the linear model and the non-linear one, once the VAS variable has been recoded.

The interactions between the process parameters were done by using the linear and quadratic model.

The linear model (1) was applied to test interaction between the two sites, while genetic parameters were estimated within each site using the linear model (2).

I'm using the linear method".

To identify metabolite and gene expression profiles that differed significantly for the effects of diet, genetic line, and the genetic-by-diet interaction, we used the linear model: Y i j m = μ + G i + D j + G × D i j + ε i j m for measurements taken from the mth individual sample in the ith genetic line (G) raised on the jth diet (D).

The binding free energies of podophyllotoxin-based inhibitors of tubulin were computed using a linear interaction energy (LIE) method with a surface generalized Born (SGB) continuum solvation model.

We have presented an open source framework for unsupervised protein-ligand binding affinity (free energy) computation using iterative linear interaction energy (LIE) theory.

Table 2 gives the results of factors included in the final linear model using the MIPS interaction data [ 12] and the four expression profiles by stepwise selection with AIC.

In addition, Monte Carlo simulation is carried out using a piecewise linear interaction model.