P2Rank 2.0.1
:: DESCRIPTION
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.
::DEVELOPER
:: SCREENSHOTS
N/A
:: REQUIREMENTS
- Windows/Linux
- JRE 8 (Java 1.8) or JRE 11 (Java 11)
- PyMOL
:: DOWNLOAD
:: MORE INFORMATION
Citation:
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure.
Krivák R, Hoksza D.
J Cheminform. 2018 Aug 14;10(1):39. doi: 10.1186/s13321-018-0285-8.