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Recovering the true targets of specific ligands by virtual screening of the protein data bank
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
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A geometric approach to macromolecule-ligand interactions
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Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
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Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. II. Environment of bound NADPH and implications for catalysis.
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Relibase: Design and Development of a Database for Comprehensive Analysis of Protein–Ligand Interactions
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The Structural Basis of Estrogen Receptor/Coactivator Recognition and the Antagonism of This Interaction by Tamoxifen
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LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins
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Virtual screening and fast automated docking methods
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High-throughput docking for lead generation
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Loop and Subdomain Movements in the Mechanism of Escherichia coli Dihydrofolate Reductase: Crystallographic Evidence,
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Ligand−Protein DataBase: Linking Protein−Ligand Complex Structures to Binding Data
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Some Coumarins and Triphenylethene Derivatives as Inhibitors of Human Testes Microsomal 17β-hydroxysteroid Dehydrogenase (17β-HSD Type 3): Further Studies with Tamoxifen on the Rat Testes Microsomal Enzyme
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LigBase: a database of families of aligned ligand binding sites in known protein sequences and structures
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The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003
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Structural Origins of High-Affinity Biotin Binding to Streptavidin
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The antiinflammatory mechanism of methotrexate. Increased adenosine release at inflamed sites diminishes leukocyte accumulation in an in vivo model of inflammation.
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Antagonistic Action of Estrogens, Flutamide, and Human Growth Hormone on Androgen-Induced Changes in the Activities of Some Enzymes of Hepatic Steroid Metabolism in the Rat*
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Kinetics for Camel (Camelus dromedarius) Retina Acetylcholinesterase Inhibition by Methotrexate In Vitro
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