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An Efficient in Silico Screening Method Based on the Protein−Compound Affinity Matrix and Its Application to the Design of a Focused Library for Cytochrome P450 (CYP) Ligands
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Outgoing claims: the papers this work cites, builds on, or argues with.
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A geometric approach to macromolecule-ligand interactions
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Structure-based drug design
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Predicting ligand binding to proteins by affinity fingerprinting
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LigScore: a novel scoring function for predicting binding affinities
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Similarities among receptor pockets and among compounds: Analysis and application to in silico ligand screening
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Predicting ADME properties in silico: methods and models
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Metric Validation and the Receptor-Relevant Subspace Concept
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Flexsim-X: A Method for the Detection of Molecules with Similar Biological Activity
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Coumarin and Chromen-4-one Analogues as Tautomerase Inhibitors of Macrophage Migration Inhibitory Factor: Discovery and X-ray Crystallography
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Identification of “Latent Hits” in Compound Screening Collections
inferredcites →https://doi.org/10.1021/jm049222oopenalex-snapshot
A Novel Class of Inhibitors of Peptide Deformylase Discovered through High-Throughput Screening and Virtual Ligand Screening
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POT-DMC: A Virtual Screening Method for the Identification of Potent Hits
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Classification of Chemical Compounds by Protein−Compound Docking for Use in Designing a Focused Library
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Molecular Similarity Based on DOCK-Generated Fingerprints
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In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes
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Mechanisms of Drug Interactions
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200709210openalex-snapshot
An Efficient in Silico Screening Method Based on the Protein—Compound Affinity Matrix and Its Application to the Design of a Focused Library for Cytochrome P450 (CYP) Ligands.
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Quantitative Structure‐activity Relationship (QSAR) Models for Docking Score Correction
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A new method for in-silico drug screening and similarity search using molecular dynamics maximum volume overlap (MD-MVO) method
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Protein–ligand docking guided by ligand pharmacophore-mapping experiment by NMR
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Pressor mechanism evaluation for phytochemical compounds using in silico compound–protein interaction prediction
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Definition of Drug-Likeness for Compound Affinity
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Contribution of 2D and 3D Structural Features of Drug Molecules in the Prediction of Drug Profile Matching
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Virtual Affinity Fingerprints for Target Fishing: A New Application of Drug Profile Matching
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Computer-aided drug design 2005–2007
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In Silico Drug Screening Based on a Protein-Compound Affinity Matrix
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Computer-based substrate specificity prediction for cytochrome P450
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A Similarity Search Using Molecular Topological Graphs
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QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
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Structural ensemble in computational drug screening
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Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450
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Computer-based substrate specifity prediction for cytochrome P450
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A method to enhance the hit ratio by a combination of structure-based drug screening and ligand-based screening
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Advanced in-silico drug screening to achieve high hit ratio
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