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Lead Validation and SAR Development via Chemical Similarity Searching; Application to Compounds Targeting the pY+3 Site of the SH2 Domain of p56lck
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/jcc.20084openalex-snapshot
UCSF Chimera—A visualization system for exploratory research and analysis
inferredcites →https://doi.org/10.1002/jcc.540040211openalex-snapshot
CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
inferredcites →https://doi.org/10.1007/978-94-011-1350-2openalex-snapshot
Molecular Similarity in Drug Design
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1359-6446(98)01186-6openalex-snapshot
Approaches to virtual library design
inferredcites →https://doi.org/10.1021/cc000073eopenalex-snapshot
Diverse Viewpoints on Computational Aspects of Molecular Diversity
inferredcites →https://doi.org/10.1021/ci0001482openalex-snapshot
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
inferredcites →https://doi.org/10.1021/ci00051a006openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
inferredcites →https://doi.org/10.1021/ci0496954openalex-snapshot
Molecular Property eXplorer: A Novel Approach to Visualizing SAR Using Tree-Maps and Heatmaps
inferredcites →https://doi.org/10.1021/ci049782wopenalex-snapshot
Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR
inferredcites →https://doi.org/10.1021/ci960373copenalex-snapshot
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
inferredcites →https://doi.org/10.1021/jm020155copenalex-snapshot
Do Structurally Similar Molecules Have Similar Biological Activity?
inferredcites →https://doi.org/10.1021/jm0493515openalex-snapshot
Hit-Directed Nearest-Neighbor Searching
inferredcites →https://doi.org/10.1021/jm960352+openalex-snapshot
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm981062ropenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa
inferredcites →https://doi.org/10.1023/a:1023828527638openalex-snapshot
Similarity based SAR (SIBAR) as tool for early ADME profiling
inferredcites →https://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferredcites →https://doi.org/10.1080/10629369808033260openalex-snapshot
An Evaluation of Structural Descriptors and Clustering Methods for Use in Diversity Selection
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Target‐Based Virtual Screening to Address Protein–Protein Interfaces
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Prospects of Modulating Protein–Protein Interactions
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Site‐Identification by Ligand Competitive Saturation as a Paradigm of Co‐solvent MD Methods
inferred← citeshttps://doi.org/10.1007/978-1-4939-6634-9_5openalex-snapshot
Computer-Aided Drug Design Methods
inferred← citeshttps://doi.org/10.1007/978-3-030-48283-1_5openalex-snapshot
Developing Kinase Inhibitors Using Computer-Aided Drug Design Approaches
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Using Caenorhabditis elegans as a model organism for evaluating extracellular signal-regulated kinase docking domain inhibitors
inferred← citeshttps://doi.org/10.1021/ci1004916openalex-snapshot
Inhibitors of SARS-3CL pro : Virtual Screening, Biological Evaluation, and Molecular Dynamics Simulation Studies
inferred← citeshttps://doi.org/10.1039/c3cs35449kopenalex-snapshot
Progress towards the development of SH2 domain inhibitors
inferred← citeshttps://doi.org/10.1039/c3ob40199eopenalex-snapshot
Structural modifications of (Z)-3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione that improve selectivity for inhibiting the proliferation of melanoma cells containing active ERK signaling
inferred← citeshttps://doi.org/10.1158/0008-5472.can-16-0061openalex-snapshot
The Small Molecule IMR-1 Inhibits the Notch Transcriptional Activation Complex to Suppress Tumorigenesis
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Targeting Protein Tyrosine Phosphatase SHP2 for the Treatment of PTPN11 -Associated Malignancies
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Characterization of ERK Docking Domain Inhibitors that Induce Apoptosis by Targeting Rsk-1 and Caspase-9
inferred← citeshttps://doi.org/10.1371/journal.pone.0244967openalex-snapshot
Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae
inferred← citeshttps://doi.org/10.1371/journal.ppat.1003732openalex-snapshot
Turning Defense into Offense: Defensin Mimetics as Novel Antibiotics Targeting Lipid II
inferred← citeshttps://doi.org/10.2147/dddt.s79504openalex-snapshot
Structure–activity exploration of a small-molecule Lipid II inhibitor
inferred← citeshttps://doi.org/10.2174/156802607779318334openalex-snapshot
Computational Identification of Inhibitors of Protein-Protein Interactions
inferred← citeshttps://doi.org/10.3109/01480545.2013.851691openalex-snapshot
In silicoandin vitrogenotoxicity evaluation of descarboxyl levofloxacin, an impurity in levofloxacin
inferred← citeshttps://doi.org/10.3109/15376516.2011.635319openalex-snapshot
In silicoandin vitrogenotoxicity evaluation of levofloxacin n-oxide, an impurity in levofloxacin
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