Reference : PrankWeb: a web server for ligand binding site prediction and visualization.
Scientific journals : Article
Engineering, computing & technology : Computer science
http://hdl.handle.net/10993/40648
PrankWeb: a web server for ligand binding site prediction and visualization.
English
Jendele, Lukas [Charles University > Department of Software Engineering]
Krivak, Radoslav [Charles University > Department of Software Engineering]
Skoda, Petr [Charles University > Department of Software Engineering]
Novotny, Marian [Charles University > Department of Cell Biology]
Hoksza, David mailto [University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB) > > ; Charles University > Department of Software Engineering]
2019
Nucleic acids research
47
W1
W345-W349
Yes
International
0305-1048
1362-4962
England
[en] PrankWeb is an online resource providing an interface to P2Rank, a state-of-the-art method for ligand binding site prediction. P2Rank is a template-free machine learning method based on the prediction of local chemical neighborhood ligandability centered on points placed on a solvent-accessible protein surface. Points with a high ligandability score are then clustered to form the resulting ligand binding sites. In addition, PrankWeb provides a web interface enabling users to easily carry out the prediction and visually inspect the predicted binding sites via an integrated sequence-structure view. Moreover, PrankWeb can determine sequence conservation for the input molecule and use this in both the prediction and result visualization steps. Alongside its online visualization options, PrankWeb also offers the possibility of exporting the results as a PyMOL script for offline visualization. The web frontend communicates with the server side via a REST API. In high-throughput scenarios, therefore, users can utilize the server API directly, bypassing the need for a web-based frontend or installation of the P2Rank application. PrankWeb is available at http://prankweb.cz/, while the web application source code and the P2Rank method can be accessed at https://github.com/jendelel/PrankWebApp and https://github.com/rdk/p2rank, respectively.
http://hdl.handle.net/10993/40648
10.1093/nar/gkz424
https://academic.oup.com/nar/article/47/W1/W345/5494740
(c) The Author(s) 2019. Published by Oxford University Press on behalf of Nucleic Acids Research.

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