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P2Rank is a new open source software package for ligand binding site prediction from protein structure. It is available as a user-friendly stand-alone command line program and a Java library. P2Rank has a lightweight installation and does not depend on other bioinformatics tools or large structural or sequence databases. Thanks to its speed and ability to make fully automated predictions, it is particularly well suited for processing large datasets or as a component of scalable structural bioinformatics pipelines.
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Radoslav Krivák
Czech Academy of Sciences
David Hoksza
Charles University
SHILAP Revista de lepidopterología
Journal of Cheminformatics
Charles University
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Krivák et al. (Tue,) studied this question.
synapsesocial.com/papers/69d7f7a166a29169b4bed9f9 — DOI: https://doi.org/10.1186/s13321-018-0285-8