Sentence examples for solvent grid from inspiring English sources

We only use the solvent grid points.

We also implemented a baseline predictor by random selection of five solvent grid points that are less than 5Å from the protein surface.

Scan the solvent grid points that are within 5Å from the protein surface and count the interaction patterns that are within R distance from a given grid point.

Our method and Ligsite-csc only used the solvent grid points in ligand-binding site prediction.

We also implemented a baseline predictor by randomly selecting a grid point that was indicated as a solvent grid by Ligsite-csc.

These grids are divided into three categories: protein grids, surface grids, and solvent grids.

First, we employed the Ligsite-csc program to locate solvent grids in a protein.

Surface grids have a Connolly vertex within 1.0 Å, and all other grids are characterized as solvent grids [ 25].

The program searches for cavities by scanning along the x-, y- and z-axes to locate groups of solvent-accessible grid points that are enclosed by grid points not accessible to solvent on both sides (Figure 4).

For each solute, the calculated solvation free energies were averaged over 50 separate calculations, each calculation having a different position of the grid of solvent dipoles with respect to the solute.

Two different sample preparation methods were used: (i) droplets of the solution were placed on the grid and the solvent was allowed to evaporate, and (ii) a piece of cleaning paper was placed under the grid to absorb the solvent.