Sentence examples for using a scoring function from inspiring English sources

In computational docking, a large number of binding poses are evaluated and ranked using a scoring function.

LUDI is a program used for de novo structure-based design of ligands and can predict binding of ligands quantitatively using a scoring function.

The Aligator script methodically evaluates potential peptide segments for a target using a scoring function that includes solubility, ligation site quality, segment lengths, and number of ligations to provide a ranked list of potential synthetic strategies.

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.

We generated 300 potentially possible complexes with DNA, the ten best of which were selected for the next stage, using a scoring function, built-in the QXP package [22].

All docking programs follow the same general scheme consisting of two main steps: first, the program generates a large set of poses by exploring multiple conformations of the ligand into the binding site, with a rough evaluation to reject the most unrealistic ones, and second, the retained poses are more finely evaluated and ranked using a scoring function.

A series of output files are created after the docking task is complete, including an anchor_and_grow_ranked.mol2 file containing the top scored ligands sorted using a score function value.

Finally, conclusions and discussions of possible topics of future work are provided in Section 7. In content-based QBE, a sound query is used to search a database of sounds using a score function.

Using a score function, developed for predicting circulating tumour cells by quadratic discriminant analysis (QDA), four expression levels were combined into a single discriminant value.

With a much smaller set of possible model configurations it was possible to exhaustively search all BN configurations using a score function based on gene expression alone.

Term mapping in our alignment procedure is evaluated using a score function that considers the similarity of the sets of genes assigned to terms (intrinsic similarity) and the similarity of the ontology hierarchy surrounding each term (relational similarity).