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Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with F orecaster , a Novel Platform for Drug Discovery

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What this work says

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

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Diversity in the mechanisms of gene regulation by estrogen receptors
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De novo design and synthetic accessibility
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What do we know and when do we know it?
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Evaluation and QSAR modeling on multiple endpoints of estrogen activity based on different bioassays
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Recent progress in fragment-based lead discovery
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Hit discovery and hit-to-lead approaches
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Synthesis and structure guided evaluation of estrogen agonist and antagonist activities of some new tetrazolyl indole derivatives
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SERMs: Progress and future perspectives
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Geometry-dependent atomic charge calculations using charge equilibration method with empirical two-center Coulombic terms
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Reoptimization of MDL Keys for Use in Drug Discovery
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions
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Docking Ligands into Flexible and Solvated Macromolecules. 1. Development and Validation of FITTED 1.0
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Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of F itted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors
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Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs
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Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins
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New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases
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Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
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Antiestrogens and Selective Estrogen Receptor Modulators as Multifunctional Medicines. 2. Clinical Considerations and New Agents
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A Method for Induced-Fit Docking, Scoring, and Ranking of Flexible Ligands. Application to Peptidic and Pseudopeptidic β-secretase (BACE 1) Inhibitors
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Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors
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Structure−Activity Relationships of Selective Estrogen Receptor Modulators: Modifications to the 2-Arylbenzothiophene Core of Raloxifene
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Exploring Interactions of Endocrine-Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α Ligand Binding Domain: A Molecular Docking Study
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Molecular basis of agonism and antagonism in the oestrogen receptor
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Tamoxifen to raloxifene and beyond
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Selective Estrogen-Receptor Modulators — Mechanisms of Action and Application to Clinical Practice
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Exploring the binding features of polybrominated diphenyl ethers as estrogen receptor antagonists: docking studies
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The Protein Data Bank
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Large-scale virtual screening for discovering leads in the postgenomic era
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Estrogen Receptor Null Mice: What Have We Learned and Where Will They Lead Us?
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Minireview: Genomic Organization of the Human ERα Gene Promoter Region
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Virtual screening of the estrogen receptor
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SERMs: Evolutionary Chemistry, Revolutionary Biology
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Docking-Based Virtual Screening: Recent Developments
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Recent Advances in Selective Estrogen Receptor Modulators for Breast Cancer
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Computational Approaches for Fragment-Based and De Novo Design
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Structure-Based Quantitative Structure–Activity Relationship Modeling of Estrogen Receptor β-Ligands

What points at this work

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

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