Name
Title | ||
|---|---|---|
LIBRA-WA: a web application for ligand binding site detection and protein function recognition. |
Abstract | ||
|---|---|---|
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 (similar to 96%), with the correct prediction ranking first in 349 cases (similar to 98% of the latter, similar to 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. LIBRA-WA and LIBRA+ are available at: http://www.computationalbiology.it/software.html. |
Year | DOI | Venue |
|---|---|---|
2018 | 10.1093/bioinformatics/btx715 | BIOINFORMATICS |
Field | DocType | Volume |
Data mining,Binding site,Ranking,Ligand clustering,Ligand (biochemistry),Computer science,Ligand,Software,Protein function,Web application | Journal | 34 |
Issue | ISSN | Citations |
5 | 1367-4803 | 2 |
PageRank | References | Authors |
0.37 | 8 | 5 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Daniele Toti | 1 | 105 | 13.86 |
| Le Viet Hung | 2 | 10 | 1.93 |
| Valentina Tortosa | 3 | 3 | 1.12 |
| Valentina Brandi | 4 | 2 | 0.71 |
| Fabio Polticelli | 5 | 68 | 8.97 |