Format

Send to

Choose Destination
Bioinformatics. 2017 Sep 18. doi: 10.1093/bioinformatics/btx591. [Epub ahead of print]

Meta-server for automatic analysis, scoring and ranking of docking models.

Author information

1
Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, 119991 Moscow, Russia. Contact:alexei.adzhubei@eimb.ru.
2
V. A. Trapeznikov Institute of Control Sciences of Russian Academy of Sciences, 117997 Moscow, Russia.

Abstract

Motivation:

Modelling with multiple servers that use different algorithms for docking results in more reliable predictions of interaction sites. However, the scoring and comparison of all models by an expert is time-consuming and is not feasible for large volumes of data generated by such modelling.

Results:

QASDOM Server (Quality ASsessment of DOcking Models) is a simple and efficient tool for real-time simultaneous analysis, scoring and ranking of datasets of receptor-ligand complexes built by a range of docking techniques. This meta-server is designed to analyse large datasets of docking models and rank them by scoring criteria developed in this study. It produces two types of output showing the likelihood of specific residues and clusters of residues to be involved in receptor-ligand interactions, and the ranking of models. The server also allows visualising residues that form interaction sites in the receptor and ligand sequence, and displays three-dimensional model structures of the receptor-ligand complexes.

Availability:

http://qasdom.eimb.ru.

Supplementary information:

Supplementary data are available at Bioinformatics online.

Supplemental Content

Full text links

Icon for Silverchair Information Systems
Loading ...
Support Center