Maps protein-ligand binding interactions on protein pocket residues. PLEIC-SVM is a classification model built as a post-docking process for virtual screening that uses active and inactive informations from a specific target for model building. The algorithm is based on the generation of the interaction matrix. It is robust in capturing important features for better virtual screening and may be useful tool ranking of actives and decoys.
Shanghai Engineering Research Center for Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China; State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai, China; NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, China
PLEIC-SVM funding source(s)
Supported by the National Natural Science Foundation of China (Grants 21003048 and 21433004), National Key Research and Development Plan (2016YFA0501700), Shanghai Natural Science Foundation (Grant 14ZR1411900), and Shanghai Putuo District (Grant 2014-A-02), the Fundamental Research Funds for the Central Universities and Open Research Fund of the State Key Laboratory of Precision spectroscopy, East China Normal University and the NYU-ECNU Center for Computational
Chemistry at NYU Shanghai.