Sentence examples for good surface complementarity from inspiring English sources

Large positive FTDOCK scores denote complex formation with good surface complementarity, a score of zero indicates that the molecules do not interact at all and the score is negative if the smaller molecule significantly overlaps with the larger one.

ClusPro [ 19] develops a fast algorithm for filtering docked conformations with good surface complementarity, and ranks them based on their properties.

While a predetermined geometry could actually help in surface complementarity, a sequence of different topology could very well be induced to fit the active site.

This movement results in an increased buried surface area and a superior surface complementarity and explains the improved stability in equilibrium unfolding, compared to the original C-cap.

Traditional approaches for increasing the affinity of a protein for its ligand focus on constructing improved surface complementarity in the complex by altering the protein binding site to better fit the ligand.

The compound 7812 extends into this cavity and provides surface complementarity through multiple ring structures.

Among the several configurations sampled, we adopted the solution with the highest surface complementarity and appropriate orientation relative to the membrane plane.

This may affect inner surface complementarity thereby influencing the structural stability and the dynamical behaviour of the domain with consequences at a functional level.

Thus, surface complementarity and van der Waals interaction as proposed in the mechanism of other AFPs may not be main determinants for hAFP-ice interaction [25].

Using rigid docking techniques, we obtained a different orientation for TM2, rotated nearly 180 degrees respect to ref. [11], which presents a higher degree of surface complementarity.

From these, the best-matching cross-linking constraints and PEC surface complementarity, was used to complete the overall model of PTP-SL (aa147 549).