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Target Specific Virtual Screening: Optimization of an Estrogen Receptor Screening Platform

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What this work says

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

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Molecular docking using surface complementarity
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CASP2 molecular docking predictions with the LIGIN software
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ChemInform Abstract: Nitriles in Heterocyclic Synthesis: Synthesis of Condensed Pyrans.
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ChemInform Abstract: Structure‐Activity Relationship of Antiestrogens. Phenolic Analogues of 2,3‐Diaryl‐2H‐1‐benzopyrans.
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GEMDOCK: A generic evolutionary method for molecular docking
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A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
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Comparative evaluation of eight docking tools for docking and virtual screening accuracy
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Comparing protein–ligand docking programs is difficult
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Modeling the quinone‐B binding site of the photosystem‐II reaction center using notions of complementarity and contact‐surface between atoms
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Synthesis and biological activity of 1-acetyl-2,3-diaryl-1, 2,3,4-tetrahydroquinazoline-4-ones
inferredcites →https://doi.org/10.1007/s00894-002-0112-yopenalex-snapshot
Binding site characteristics in structure-based virtual screening: evaluation of current docking tools
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Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays
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Differential Response of Estrogen Receptors α and β to SP500263, a Novel Potent Selective Estrogen Receptor Modulator
inferredcites →https://doi.org/10.1016/s0092-8674(00)81717-1openalex-snapshot
The Structural Basis of Estrogen Receptor/Coactivator Recognition and the Antagonism of This Interaction by Tamoxifen
inferredcites →https://doi.org/10.1016/s0960-894x(01)00646-1openalex-snapshot
Activity of a tamoxifen–Raloxifene hybrid ligand for estrogen receptors at an AP-1 Site
inferredcites →https://doi.org/10.1016/s0960-894x(02)00845-4openalex-snapshot
Fluorescent bioprobes for visualization of puromycin-sensitive aminopeptidase in living cells
inferredcites →https://doi.org/10.1016/s0960-894x(02)00985-xopenalex-snapshot
2-Phenylspiroindenes: a novel class of selective estrogen receptor modulators (SERMs)
inferredcites →https://doi.org/10.1016/s0960-894x(03)00306-8openalex-snapshot
Tetrahydroquinoline-Based selective estrogen receptor modulators (SERMs)
inferredcites →https://doi.org/10.1016/s1074-5521(99)80017-9openalex-snapshot
Oxidative cleavage of premithramycin B is one of the last steps in the biosynthesis of the antitumor drug mithramycin
inferredcites →https://doi.org/10.1016/s1074-5521(99)80037-4openalex-snapshot
Novel structural templates for estrogen-receptor ligands and prospects for combinatorial synthesis of estrogens
inferredcites →https://doi.org/10.1016/s1359-6446(01)02091-8openalex-snapshot
Virtual screening and fast automated docking methods
inferredcites →https://doi.org/10.1016/s1359-6446(02)02289-4openalex-snapshot
Genome annotation techniques: new approaches and challenges
inferredcites →https://doi.org/10.1016/s1359-6446(02)02292-4openalex-snapshot
Statistical intelligence: effective analysis of high-density microarray data
inferredcites →https://doi.org/10.1016/s1359-6446(02)02483-2openalex-snapshot
Structure-based virtual screening: an overview
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci00057a006openalex-snapshot
CHEMTEXT
inferredcites →https://doi.org/10.1021/ci0342728openalex-snapshot
Impact of Scoring Functions on Enrichment in Docking-Based Virtual Screening: An Application Study on Renin Inhibitors
inferredcites →https://doi.org/10.1021/ci034289qopenalex-snapshot
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
inferredcites →https://doi.org/10.1021/ci050185zopenalex-snapshot
Considerations in Compound Database Preparation“Hidden” Impact on Virtual Screening Results
inferredcites →https://doi.org/10.1021/ci050262qopenalex-snapshot
VISCANA: Visualized Cluster Analysis of Protein−Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening
inferredcites →https://doi.org/10.1021/ci600342eopenalex-snapshot
Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
inferredcites →https://doi.org/10.1021/ja047633oopenalex-snapshot
Structure-Based Design of Estrogen Receptor-β Selective Ligands
inferredcites →https://doi.org/10.1021/jm000170mopenalex-snapshot
Pyrazole Ligands: Structure−Affinity/Activity Relationships and Estrogen Receptor-α-Selective Agonists
inferredcites →https://doi.org/10.1021/jm001044lopenalex-snapshot
Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
inferredcites →https://doi.org/10.1021/jm001119lopenalex-snapshot
Flexible Estrogen Receptor Modulators: Design, Synthesis, and Antagonistic Effects in Human MCF-7 Breast Cancer Cells
inferredcites →https://doi.org/10.1021/jm00374a021openalex-snapshot
Antiestrogens. 2. Structure-activity studies in a series of 3-aroyl-2-arylbenzo[b]thiophene derivatives leading to [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride (LY 156758), a remarkably effective estrogen antagonist with only minimal…
inferredcites →https://doi.org/10.1021/jm010548wopenalex-snapshot
Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
inferredcites →https://doi.org/10.1021/jm0210562openalex-snapshot
Antiestrogenically Active 1,1,2-Tris(4-hydroxyphenyl)alkenes without Basic Side Chain: Synthesis and Biological Activity
inferredcites →https://doi.org/10.1021/jm030086hopenalex-snapshot
Estrogen Receptor Modulators: Identification and Structure−Activity Relationships of Potent ERα-Selective Tetrahydroisoquinoline Ligands
inferredcites →https://doi.org/10.1021/jm030331xopenalex-snapshot
Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions
inferredcites →https://doi.org/10.1021/jm030644sopenalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
inferredcites →https://doi.org/10.1021/jm034243oopenalex-snapshot
Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor α Modulators
inferredcites →https://doi.org/10.1021/jm049312topenalex-snapshot
Interaction Profiles of Protein Kinase−Inhibitor Complexes and Their Application to Virtual Screening
inferredcites →https://doi.org/10.1021/jm0493360openalex-snapshot
PostDOCK: A Structural, Empirical Approach to Scoring Protein Ligand Complexes
inferredcites →https://doi.org/10.1021/jm0495834openalex-snapshot
Benzoxepin-Derived Estrogen Receptor Modulators: A Novel Molecular Scaffold for the Estrogen Receptor
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm050381xopenalex-snapshot
Knowledge-Based Design of Target-Focused Libraries Using Protein−Ligand Interaction Constraints
inferredcites →https://doi.org/10.1021/jm0509389openalex-snapshot
Synthesis and Characterization of 3-Arylquinazolinone and 3-Arylquinazolinethione Derivatives as Selective Estrogen Receptor Beta Modulators
inferredcites →https://doi.org/10.1021/jm051060oopenalex-snapshot
Rationally Designed Nucleoside Antibiotics That Inhibit Siderophore Biosynthesis of Mycobacterium tuberculosis
inferredcites →https://doi.org/10.1021/jm060999mopenalex-snapshot
Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps
inferredcites →https://doi.org/10.1021/jm970095oopenalex-snapshot
(S)-(+)-4-[7-(2,2-Dimethyl-1-oxopro- poxy)-4-methyl-2-[4-[2-(1-piperidinyl)- ethoxy]phenyl]-2H-1-benzopyran-3-yl]- phenyl 2,2-Dimethylpropanoate (EM-800): A Highly Potent, Specific, and Orally Active Nonsteroidal Antiestrogen
inferredcites →https://doi.org/10.1021/jm970688zopenalex-snapshot
Synthesis and Pharmacology of Conformationally Restricted Raloxifene Analogues: Highly Potent Selective Estrogen Receptor Modulators
inferredcites →https://doi.org/10.1021/ol006652+openalex-snapshot
Enzyme-Catalyzed Asymmetric Deacylation for the Preparation of Lasofoxifene (CP-336156), a Selective Estrogen Receptor Modulator
inferredcites →https://doi.org/10.1021/ol991093wopenalex-snapshot
Synthesis and Pharmacology of Seleninic Acid Analogues of the Inhibitory Neurotransmitter γ-Aminobutyric Acid
inferredcites →https://doi.org/10.1023/a:1016399411208openalex-snapshot
Flexible docking under pharmacophore type constraints
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1071/sa0403314openalex-snapshot
A proteomic approach to resolving the binding sites for tentoxin in plastid CF1-ATPase
inferredcites →https://doi.org/10.1093/bioinformatics/15.4.327openalex-snapshot
Automated analysis of interatomic contacts in proteins.
inferredcites →https://doi.org/10.1158/0008-5472.can-05-2097openalex-snapshot
The Small Organic Compound HA14-1 Prevents Bcl-2 Interaction with Bax to Sensitize Malignant Glioma Cells to Induction of Cell Death
inferredcites →https://doi.org/10.1210/en.136.6.2435openalex-snapshot
Droloxifene, a new estrogen antagonist/agonist, prevents bone loss in ovariectomized rats
inferredcites →https://doi.org/10.1530/jrf.0.0130101openalex-snapshot
A NEW DERIVATIVE OF TRIPHENYLETHYLENE: EFFECT ON IMPLANTATION AND MODE OF ACTION IN RATS
inferredcites →https://doi.org/10.2174/156802606776173438openalex-snapshot
Estrogen Receptors: Molecular Interactions, Virtual Screening and Future Prospects

What points at this work

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

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Applications and Success Stories in Virtual Screening
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‘tieredScreen’ – Layered Virtual Screening Tool for the Identification of Novel Estrogen Receptor Alpha Modulators
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Consensus Computational Ligand‐Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha
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Lead Discovery Using Virtual Screening
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Pharmacophore modeling and structure-based virtual screening for a novel “switch region” target of bacterial RNA polymerase
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Synthesis, Structure, Chemical Reactivity, and Practical Significance of 2-Amino-4H-pyrans
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Aurintricarboxylic acid inhibits influenza virus neuraminidase
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Optimisation of estrogen receptor subtype-selectivity of a 4-Aryl-4H-chromene scaffold previously identified by virtual screening
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Understanding nuclear receptors using computational methods
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Targeted scoring functions for virtual screening
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Discovery of Potent Ligands for Estrogen Receptor β by Structure-Based Virtual Screening
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Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H 1 Receptor
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Identification of Plasmodium falciparum Spermidine Synthase Active Site Binders through Structure-Based Virtual Screening
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Integration of Ligand and Structure-Based Virtual Screening for the Identification of the First Dual Targeting Agent for Heat Shock Protein 90 (Hsp90) and Tubulin
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TS ‐Chemscore, a Target‐Specific Scoring Function, Significantly Improves the Performance of Scoring in Virtual Screening
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Prediction of Ligand Binding Affinity Using a Multiple-Conformations-Multiple-Protonation Scheme: Application to Estrogen Receptor .ALPHA.
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Virtual screening of the estrogen receptor
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Virtual screening of chemical libraries for drug discovery
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Studies in multifunctional drug development
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MTD-PLS and docking study for a series of substituted 2-phenylindole derivatives with oestrogenic activity
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Receptor-based virtual screening evaluation for the identification of estrogen receptorβligands
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2H/4H-Chromenes—A Versatile Biologically Attractive Scaffold
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Computer-Aided Ligand Discovery for Estrogen Receptor Alpha
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Analysis Of Structure-Based Virtual Screening Studies And Characterization Of Identified Active Compounds
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