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GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
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Efficient overlay of small organic molecules using 3D pharmacophores
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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
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Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
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PharmID: Pharmacophore Identification Using Gibbs Sampling
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GAPE: An Improved Genetic Algorithm for Pharmacophore Elucidation
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FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set
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GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation
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A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application
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Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations
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Identification of Common Functional Configurations Among Molecules
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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
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Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-ray Crystallography, 3D-QSAR, and Tailored Scoring Functions
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Benchmarking Sets for Molecular Docking
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Three-Dimensional Pharmacophore Methods in Drug Discovery
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A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP
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GBPM: GRID-based pharmacophore model: concept and application studies to protein–protein recognition
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Protein structure alignment by incremental combinatorial extension (CE) of the optimal path
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