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One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space

https://doi.org/10.1021/ci100136b
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Pharmacophores and Pharmacophore Searches
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Molecule-pharmacophore superpositioning and pattern matching in computational drug design
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Data mining PubChem using a support vector machine with the Signature molecular descriptor: Classification of factor XIa inhibitors
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Chemical Function Queries for 3D Database Search
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci049885eopenalex-snapshot
LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
inferredcites →https://doi.org/10.1021/ci060109bopenalex-snapshot
The Impact of Tautomer Forms on Pharmacophore-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci8002649openalex-snapshot
Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data
inferredcites →https://doi.org/10.1021/ci9000234openalex-snapshot
Hydrogen Bonding, Electrostatic Potential, and Molecular Design
inferredcites →https://doi.org/10.1021/jm050343dopenalex-snapshot
Pharmacophore Modeling, Docking, and Principal Component Analysis Based Clustering: Combined Computer-Assisted Approaches To Identify New Inhibitors of the Human Rhinovirus Coat Protein
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Benchmarking Sets for Molecular Docking
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Clavatadine A, A Natural Product with Selective Recognition and Irreversible Inhibition of Factor XIa
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The p K BHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists
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Heat Shock Protein 90: Inhibitors in Clinical Trials
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Three-Dimensional Pharmacophore Methods in Drug Discovery
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Targeting HSP90 for cancer therapy
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PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
inferredcites →https://doi.org/10.2174/1381612013397843openalex-snapshot
3-D Pharmacophores in Drug Discovery
inferredcites →https://doi.org/10.2174/1381612013397861openalex-snapshot
Virtual Screening An Effective Tool for Lead Structure Discovery
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Update on Hsp90 Inhibitors in Clinical Trial
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The Hsp90 chaperone machinery: from structure to drug development

What points at this work

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

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Pharmacophore Perception and Applications
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Pharmacophore Model Refinement for 11β‐Hydroxysteroid Dehydrogenase Inhibitors: Search for Modulators of Intracellular Glucocorticoid Concentrations
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Pharmacophore Modeling: Methods and Applications
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Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles
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Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores
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Pharmacophore Identification and Pseudo-Receptor Modeling
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2/3D Pharmacophore definitions and their application
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Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors
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Strategies for 3D pharmacophore-based virtual screening
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3D pharmacophores as tools for activity profiling
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Combination of ligand- and structure-based methods in virtual screening
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In silico methods in the discovery of endocrine disrupting chemicals
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Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling
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PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes
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Discovery of Potent Soluble Epoxide Hydrolase (sEH) Inhibitors by Pharmacophore-Based Virtual Screening
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ELIXIR-A: An Interactive Visualization Tool for Multi-Target Pharmacophore Refinement
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Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors
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ZINCPharmer: pharmacophore search of the ZINC database
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