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Computational Profiling of Bioactive Compounds Using a Target-Dependent Composite Workflow
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Structure‐Based Approaches to Target Fishing and Ligand Profiling
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Chemogenomic Analysis of Safety Profiling Data
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Surflex-Dock: Docking benchmarks and real-world application
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Discovery of Helicobacter pylori shikimate kinase inhibitors: Bioassay and molecular modeling
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PubChem as a public resource for drug discovery
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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
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CSAR Scoring Challenge Reveals the Need for New Concepts in Estimating Protein–Ligand Binding Affinity
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Protein–Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling
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Comparison and Druggability Prediction of Protein–Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes
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Rapid Quantification of Molecular Diversity for Selective Database Acquisition
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In Silico-Guided Target Identification of a Scaffold-Focused Library: 1,3,5-Triazepan-2,6-diones as Novel Phospholipase A2 Inhibitors
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Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1 H -pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia†Coordinates of the PDE10A crystal structures have been deposited in the…
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The Universal Protein Resource (UniProt) in 2010
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ChEMBL: a large-scale bioactivity database for drug discovery
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Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1016/b978-0-12-820472-6.00048-7openalex-snapshot
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Protein-Ligand Pharmacophores: Concept, Design and Applications
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Application of Computational Biology and Artificial Intelligence Technologies in Cancer Precision Drug Discovery
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inferred← citeshttps://doi.org/10.4155/fmc.14.5openalex-snapshot
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Développements HPC pour une nouvelle méthode de docking inverse : applications aux protéines matricielles.
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