Sentence examples for binding poses are shown from inspiring English sources

The apelin and MM07-apelin receptor binding poses are shown in Figure 1 taken from the most representative structure of the principal cluster of the MD simulation trajectory.

Poses ranking: The sampled binding poses are then ranked using a simple pharmacophore-based scoring function (equation 1) to select top ranked poses for subsequent optimization.

The sampled binding poses are then ranked using a simple pharmacophore-based scoring function.

Fig. 3 5c, 5c and 5f between Cys 813 and Tyr 802 of binding pocket (a) their binding poses are same and are overlapping with each other.

In this process, a large number of binding poses are computationally generated and then evaluated using a scoring function (SF), which is a mathematical or predictive model that produces a score representing binding stability of the pose.

After docking, the top 20 binding poses were examined, and the highest scoring pose that showed a hydrogen-bond interaction between the dione C-2 carbonyl and ParC-Arg123 was used as the template for subsequent docking of UING5-157 and UING5-207.

The binding poses were visually inspected for 500 molecules.

The best scored binding poses were manually inspected for compatibility with mutagenesis data reported for CCK derivatives binding to CCK-2R [27].

Scoring of the binding poses was performed using GOLDscore.

Twenty different binding poses were generated per molecule and ranked according to their binding energies.

Two slightly different clusters of binding poses were identified for EMD 57033 with comparable binding affinities.