RSC Medicinal Chemistry · 2022 · 11 citations · 21 references
PharmacyChemistryMedicinal ChemistryComputational ChemistryDrug DiscoveryStructural BiologyChemical Library DesignFragment-based Drug DesignLigand BindingProtein StructureProtein Structure ModelingChemical Library SynthesisFragment-based DiscoveryFragment-based Ligand DesignLigand-bound Structure DeterminationProtein-ligand Complex AnalysisProtein-ligand Complex ModelingStructural Characterization Of Complexes
19 F-NMR analysis using the optimized 19 F chemical library enables the modeling of the structure of the weakly bound protein–compound complex, overcoming the difficulty in fragment-based drug discovery.
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Discovering High-Affinity Ligands for Proteins: SAR by NMR
Suzanne B. Shuker, Philip J. Hajduk, Robert Meadows et al. · Science · 1996 · 2K citations
The ChEMBL bioactivity database: an update
A. Patrícia Bento, Anna Gaulton, Anne Hersey et al. · Nucleic Acids Research · 2013 · 1.5K citations · Full text