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Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint ApproachDrug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitorsDrug off-target effects predicted using structural analysis in the context of a metabolic network modelThe Mycobacterium tuberculosis drugome and its polypharmacological implicationsDrug discovery using chemical systems biology: weak inhibition of multiple kinases may contribute to the anti-cancer effect of nelfinavirTowards structural systems pharmacology to study complex diseases and personalized medicineNovel computational approaches to polypharmacology as a means to define responses to individual drugsStructure-based systems biology for analyzing off-target bindingMultiscale modeling of the causal functional roles of nsSNPs in a genome-wide association study: application to hypoxia.Quantifying reproducibility in computational biology: the case of the tuberculosis drugomeZeta Inhibitory Peptide Disrupts Electrostatic Interactions That Maintain Atypical Protein Kinase C in Its Active Conformation on the Scaffold p62.A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery
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P50
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Li Xie
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Li Xie
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Li Xie
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Li Xie
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Li Xie
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Li Xie
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Li Xie
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Li Xie
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Li Xie
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