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Bioinformatics. 2018 Mar 1;34(5):878-880. doi: 10.1093/bioinformatics/btx715.

LIBRA-WA: a web application for ligand binding site detection and protein function recognition.

Author information

Department of Sciences, University of Roma Tre, 00146 Rome, Italy.
Department of Science and Technology, Nguyen Tat Thanh University, Ho chi Minh City, Vietnam.
National Institute of Nuclear Physics, Roma Tre Section, 00146 Rome, Italy.



Recently, LIBRA, a tool for active/ligand binding site prediction, was described. LIBRA's effectiveness was comparable to similar state-of-the-art tools; however, its scoring scheme, output presentation, dependence on local resources and overall convenience were amenable to improvements. To solve these issues, LIBRA-WA, a web application based on an improved LIBRA engine, has been developed, featuring a novel scoring scheme consistently improving LIBRA's performance, and a refined algorithm that can identify binding sites hosted at the interface between different subunits. LIBRA-WA also sports additional functionalities like ligand clustering and a completely redesigned interface for an easier analysis of the output. Extensive tests on 373 apoprotein structures indicate that LIBRA-WA is able to identify the biologically relevant ligand/ligand binding site in 357 cases (∼96%), with the correct prediction ranking first in 349 cases (∼98% of the latter, ∼94% of the total). The earlier stand-alone tool has also been updated and dubbed LIBRA+, by integrating LIBRA-WA's improved engine for cross-compatibility purposes.

Availability and implementation:

LIBRA-WA and LIBRA+ are available at:


Supplementary information:

Supplementary data are available at Bioinformatics online.

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