SIRET Research Group
Department of Software Engineering
Faculty of Mathematics and Physics
Charles University
Malostranské nám. 25,
118 00 Prague
Czech Republic
email: | info@siret.cz |
phone: | +420 95155 4227 |
P2Rank
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(Protein-Ligand binding site prediction)
P2Rank is a machine learning based method for prediction of ligand binding sites from protein structure. P2Rank uses Random Forests classifier to infer ligandability of local chemical neighborhoods near the protein surface which are represented by specific near-surface points and described by aggregating physico-chemical features projected on those points from neighboring protein atoms. The points with high predicted ligandability are clustered and ranked to obtain the resulting list of binding site predictions. P2Rank is freely available at github.com/rdk/p2rank .
Bioinformatics & Cheminformatics
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SIRET Research Group
Department of Software Engineering
Faculty of Mathematics and Physics
Charles University
Malostranské nám. 25,
118 00 Prague
Czech Republic
email: | info@siret.cz |
phone: | +420 95155 4227 |