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Generation and Selection of Novel Estrogen Receptor Ligands Using the De Novo Structure-Based Design Tool, SkelGen
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/s1367-5931(97)80004-xopenalex-snapshot
Modern computational chemistry and drug discovery: structure generating programs
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De Novo Design of Enzyme Inhibitors by Monte Carlo Ligand Generation
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Rational modification of human synovial fluid phospholipase A2 inhibitors
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Detailed Analysis of Scoring Functions for Virtual Screening
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A novel peptide delivery system involving peptidase activated prodrugs as antimicrobial agents. Synthesis and biological activity of peptidyl derivatives of 5-fluorouracil
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Toward Selective ERβ Agonists for Central Nervous System Disorders: Synthesis and Characterization of Aryl Benzthiophenes
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SYNOPSIS: SYNthesize and OPtimize System in Silico
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Emerging Therapies for the Prevention or Treatment of Postmenopausal Osteoporosis
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Aspartic Protease Inhibitors Designed from Computer-Generated Templates Bind As Predicted
inferredcites →https://doi.org/10.1023/a:1007994827087openalex-snapshot
A branch-and-bound method for optimal atom-type assignment in de novo ligand design
inferredcites →https://doi.org/10.1023/a:1008042711516openalex-snapshot
Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design
inferredcites →https://doi.org/10.1023/a:1021242018286openalex-snapshot
A validation study on the practical use of automated de novo design
inferredcites →https://doi.org/10.2174/0929867033368501openalex-snapshot
Advances in the Science of Estrogen Receptor Modulation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Small Molecule Inhibitors: Design and Selection
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Design and Selection of Small Molecule Inhibitors
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Free Energy Methods in Ligand Design
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Structure‐BasedDe NovoDrug Design
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Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets
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Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update
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Rigorous Free Energy Calculations in Structure‐Based Drug Design
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Enabling future drug discovery by de novo design
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Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4
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Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemists
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3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors
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Structure-based drug discovery and protein targets in the CNS
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Protein flexibility in docking and surface mapping
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Algorithm for Exhaustive and Nonredundant Organic Stereoisomer Generation
inferred← citeshttps://doi.org/10.1021/ci700424bopenalex-snapshot
Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization
inferred← citeshttps://doi.org/10.1021/ci900254bopenalex-snapshot
Pharmacophore Modeling for Qualitative Prediction of Antiestrogenic Activity
inferred← citeshttps://doi.org/10.1021/jm800498eopenalex-snapshot
Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins
inferred← citeshttps://doi.org/10.1021/jm800524sopenalex-snapshot
Hit Identification and Binding Mode Predictions by Rigorous Free Energy Simulations
inferred← citeshttps://doi.org/10.1021/tx800278dopenalex-snapshot
Exploring Interactions of Endocrine-Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α Ligand Binding Domain: A Molecular Docking Study
inferred← citeshttps://doi.org/10.1039/c0md00020eopenalex-snapshot
Chemical space as a source for new drugs
inferred← citeshttps://doi.org/10.1111/j.1582-4934.2008.00665.xopenalex-snapshot
Docking, virtual high throughput screening and in silico fragment‐based drug design
inferred← citeshttps://doi.org/10.1517/17460441.1.2.103openalex-snapshot
What has computer-aided molecular design ever done for drug discovery?
inferred← citeshttps://doi.org/10.1517/17460441.1.2.179openalex-snapshot
SkelGen: a general tool for structure-based de novo ligand design
inferred← citeshttps://doi.org/10.1517/17460441.2010.497534openalex-snapshot
De novodesign: balancing novelty and confined chemical space
inferred← citeshttps://doi.org/10.2174/138161212799436386openalex-snapshot
From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets
inferred← citeshttps://doi.org/10.2174/156802610790232305openalex-snapshot
Computational Approaches for Fragment-Based and De Novo Design
inferred← citeshttps://doi.org/10.3390/ma14041025openalex-snapshot
1,2-Diarylethanols—A New Class of Compounds That Are Toxic to E. coli K12, R2–R4 Strains
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δ-Lactones—A New Class of Compounds That Are Toxic to E. coli K12 and R2–R4 Strains
inferred← citeshttps://doi.org/10.4155/fmc.10.277openalex-snapshot
Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
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