COACH: A meta-server based approach to protein-ligand binding site prediction

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COACH is a meta-server approach to protein-ligand binding site prediction. Starting from given structure of target proteins, COACH will generate complementray ligand binding site predictions using two comparative methods, TM-SITE and S-SITE, which recognize ligand-binding templates from the BioLiP protein function database by binding-specific substructure and sequence profile comparisons. These predictions will be combined with results from other methods (including COFACTOR, FINDSITE and ConCavity to generate final ligand binding site predictions. Users are also allowed to input primary sequence, where I-TASSER will be used to generate 3D models first which are then fed into the COACH pipeline for ligand-binding site prediction. The COACH algorithm was ranked as the best method in the weekly CAMEO ligand Binding Site Prediction Experiments.

Please post questions and suggestions about the COACH server at the Service System Discussion Board.

Download the standalone COACH Package through I-TASSER Suite.

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COACH Resource:

References (Please cite the following articles when you use the COACH server):

Jianyi Yang, Ambrish Roy, and Yang Zhang. Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment, Bioinformatics, 29:2588-2595 (2013). (PDF and Support Information)
Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (PDF).

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