Sentence examples for uses a scoring function from inspiring English sources

The XTMS webserver [12] uses a scoring function to rank pathway results found by the RetroPath search algorithm.

It explores either FTDOCK or ZDOCK methods to generate conformations of complexes and uses a scoring function that applies electrostatics and desolvation energies to select the best solutions.

SOMA uses a scoring function that assigns penalties for differences in the optical map and the reference map, including missing or extra restriction sites, or differences in the size of the fragments that could represent insertions or deletions.

AutoDock4 is a docking program with a graphical tools package that uses a scoring function, also known as a force field, to search through a conformational landscape of a ligand to calculate the free energy of binding to a target site of a macromolecule.

Our method uses a score function that encodes the quality of putative domains in an intuitive manner based on their local density of interactions.

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.

A bioactive conformation of a ligand among the candidate conformations was selected using a scoring function ΔG Delta G = {text{pIC}}_{50}^{cal} + log,Sleft( r right) (1 where ({text{pIC}}_{50}^{cal}) is the pIC50 estimated with a 3D-QSAR model.

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].