PrankWeb: a web server for ligand binding site prediction and visualization.

Abstract:

: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.

journal_name

Nucleic Acids Res

journal_title

Nucleic acids research

authors

Jendele L,Krivak R,Skoda P,Novotny M,Hoksza D

doi

10.1093/nar/gkz424

subject

Has Abstract

pub_date

2019-07-02 00:00:00

pages

W345-W349

issue

W1

eissn

0305-1048

issn

1362-4962

pii

5494740

journal_volume

47

pub_type

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