Sentence examples for docking output from inspiring English sources

To parallelize the LGA with OpenMP, modifications to the input seed value generation and docking output handling code were required.

The docking output results were represented by the docking scores as Gibbs free energy of binding (ΔGbind), and they were further converted to the predicted inhibition constants (Kipred).

The AutoDock docking output contains solutions ranked according to the scoring functions with information about the frequency of occurrence, mean energies (Δ G), inhibition constant and root mean square deviations (RMSDs) within the cluster each defined by its corresponding 3D coordinates.

In addition, post-docking processing techniques that automate the selection of appropriate poses/compounds not only greatly alleviate the human intervention of docking outputs but also improve the final outcome simultaneously.

The resolution gets better when docked, outputting at 1080p on a screen through an HDMI connection.

These contributions are binding site specific, atom based, quantitative, differentiate between favourable and unfavourable interactions via prefix and can be easily extracted from the docking pose output files.

With the use of a designed set of Python scripts for data managing and filtering, CAVS allows to convert the comparative virtual screening procedure into an automatic pipeline and to effectively analyze virtual screening results from standard Surflex-Dock 2.6 output files.

At the end of each docking simulation an output file is generated.

A docking without any output pose was considered as a failure.

GOLD outputs docking results in terms of a fitness score.

The dock switches the output to 1080p and adds extra cooling power.