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Structural Properties of Non-Traditional Drug Targets Present New Challenges for Virtual Screening

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Outgoing claims: the papers this work cites, builds on, or argues with.

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FRED and HYBRID docking performance on standardized datasets
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Targeted scoring functions for virtual screening
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Sam68 Is Required for Both NF-κB Activation and Apoptosis Signaling by the TNF Receptor
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Drug-like properties and the causes of poor solubility and poor permeability
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FRED Pose Prediction and Virtual Screening Accuracy
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Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
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Prediction of Protein−Protein Interaction Inhibitors by Chemoinformatics and Machine Learning Methods
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Drugs, their targets and the nature and number of drug targets
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STAT proteins: novel molecular targets for cancer drug discovery
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Structural conservation of druggable hot spots in protein–protein interfaces
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The maximal affinity of ligands
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Direct Interaction between Survivin and Smac/DIABLO Is Essential for the Anti-apoptotic Activity of Survivin during Taxol-induced Apoptosis
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Atomic Interactions and Profile of Small Molecules Disrupting Protein–Protein Interfaces: the TIMBAL Database
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Comprehensive Identification of Human bZIP Interactions with Coiled-Coil Arrays
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The Structure of Interleukin-2 Complexed with Its Alpha Receptor
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inferredcites →https://doi.org/10.1208/s12248-012-9322-0openalex-snapshot
Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
inferredcites →https://doi.org/10.1371/journal.pcbi.1002951openalex-snapshot
Druggable Protein Interaction Sites Are More Predisposed to Surface Pocket Formation than the Rest of the Protein Surface
inferredcites →https://doi.org/10.1371/journal.pone.0009598openalex-snapshot
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RNA-Binding Protein Musashi1 Modulates Glioma Cell Growth through the Post-Transcriptional Regulation of Notch and PI3 Kinase/Akt Signaling Pathways
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A Leap into the Chemical Space of Protein-Protein Interaction Inhibitors

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Enhancements to the Rosetta Energy Function Enable Improved Identification of Small Molecules that Inhibit Protein-Protein Interactions
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Identification and Validation of an Aspergillus nidulans Secondary Metabolite Derivative as an Inhibitor of the Musashi-RNA Interaction
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Protein-ligand binding kinetics are primarily controlled by the protein, not the ligand
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