P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure

P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure

Abstract Background Ligand binding site prediction from protein structure has many applications related to elucidation of protein function and structure based drug discovery. It often represents only one step of many in complex computational drug design efforts. Although many methods have been publi...

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Bibliographic Details
Main Authors: Radoslav Krivák, David Hoksza
Format: Article
Language:English
Published: BMC 2018-08-01
Series:Journal of Cheminformatics
Subjects:
Ligand binding sites
Protein pockets
Binding site prediction
Protein surface descriptors
Machine learning
Random forests
Online Access:http://link.springer.com/article/10.1186/s13321-018-0285-8

Internet

http://link.springer.com/article/10.1186/s13321-018-0285-8

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