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Finding Protein Targets for Small Biologically Relevant Ligands across Fold Space Using Inverse Ligand Binding Predictions

Authors:	Gang Hu Jianzhao Gao Kui Wang Marcin J Mizianty Jishou Ruan Lukasz Kurgan

Institution:	1. School of Mathematical Sciences and LPMC, Nankai University, Tianjin, People’s Republic of China 300071;2. State Key Laboratory of Medicinal Chemical Biology, Nankai University, Tianjin, People’s Republic of China 300071;3. Department of Electrical and Computer Engineering, University of Alberta, Edmonton, Alberta T6G 2V4, Canada

Abstract:	Download : Download high-res image (269KB) Download : Download full-size image Highlights? Inverse ligand binding prediction is implemented with modern binding site predictors ? Use of just one protein-ligand complex allows accurate identification of other protein targets ? Inverse prediction is effective in finding structurally distant protein targets ? Consensus approach provides improvements

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