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QSAR of conformationally flexible molecules: Comparative Molecular Field Analysis of protein-tyrosine kinase inhibitors

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What this work says

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

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The epidermal growth factor receptor and the prognosis of bladder cancer
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Relationship between epidermal growth factor receptor status and various prognostic factors in human breast cancer
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
inferredcites →https://doi.org/10.1002/qsar.19910100402openalex-snapshot
Comparative Molecular Field Analysis on a Set of Muscarinic Agonists
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Multivariate Data Analysis in Chemistry
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HINT: A new method of empirical hydrophobic field calculation for CoMFA
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Quantitative structure-activity relationships (QSAR) and molecular modelling in cancer research
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Toxication of MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) and analogs by monoamine oxidase
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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/0092-8674(90)90801-kopenalex-snapshot
Signal transduction by receptors with tyrosine kinase activity
inferredcites →https://doi.org/10.1016/0304-419x(87)90007-2openalex-snapshot
Subversion of growth regulatory pathways in malignant transformation
inferredcites →https://doi.org/10.1016/s0003-2670(00)82860-3openalex-snapshot
Numerical recipes: the art of scientific computing
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Specific inhibitors of tyrosine-specific protein kinase, synthetic 4-hydroxycinnamamide derivatives
inferredcites →https://doi.org/10.1016/s0079-6468(08)70281-9openalex-snapshot
6 Multivariate Data Analysis and Experimental Design in Biomedical Research
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Design of a selective insulin receptor tyrosine kinase inhibitor and its effect on glucose uptake and metabolism in intact cells
inferredcites →https://doi.org/10.1021/ja00018a002openalex-snapshot
Theoretical calculations on 1,2-ethanediol. Gauche-trans equilibrium in gas-phase and aqueous solution
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm00084a005openalex-snapshot
CoMFA analysis of the interactions of antipicornavirus compounds in the binding pocket of human rhinovirus-14
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Synthesis and ligand binding of cocaine isomers at the cocaine receptor
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Direct prediction of dissociation constants (pKa's) of clonidine-like imidazolines, 2-substituted imidazoles and 1-methyl-2-substituted-imidazoles from 3D structures using a comparative molecular field analysis (CoMFA) approach
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Comparative molecular field analysis of some clodronic acid esters
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Synthesis, ligand binding, QSAR, and CoMFA study of 3.beta.-(p-substituted phenyl)tropane-2.beta.-carboxylic acid methyl esters
inferredcites →https://doi.org/10.1021/jm00117a016openalex-snapshot
Synthesis and evaluation of multisubstrate inhibitors of an oncogene-encoded tyrosine-specific protein kinase. 2
inferredcites →https://doi.org/10.1021/jm00130a020openalex-snapshot
Tyrphostins I: synthesis and biological activity of protein tyrosine kinase inhibitors
inferredcites →https://doi.org/10.1021/jm00171a007openalex-snapshot
Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site
inferredcites →https://doi.org/10.1021/jo00008a028openalex-snapshot
Direct prediction of linear free energy substituent effects from 3D structures using comparative molecular field analysis. 1. Electronic effects of substituted benzoic acids
inferredcites →https://doi.org/10.1021/np50066a009openalex-snapshot
Isolation of a Novel Tyrosine Kinase Inhibitor, Lavendustin A, from Streptomyces griseolavendus
inferredcites →https://doi.org/10.1042/bst0180069openalex-snapshot
Tyrosine kinase activities and neoplastic transformation
inferredcites →https://doi.org/10.1101/sqb.1988.053.01.022openalex-snapshot
Tyrosine Phosphorylation in Signal Transduction
inferredcites →https://doi.org/10.1119/1.14981openalex-snapshot
Numerical Recipes, The Art of Scientific Computing
inferredcites →https://doi.org/10.1126/science.3263702openalex-snapshot
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Phenotypic Change from Transformed to Normal Induced by Benzoquinonoid Ansamycins Accompanies Inactivation of p60 src in Rat Kidney Cells Infected with Rous Sarcoma Virus
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Progress in Clinical and Biological Research
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The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses
inferredcites →https://doi.org/10.1248/cpb.36.974openalex-snapshot
Specific inhibitors of tyrosine-specific protein kinase. I. Synthesis and inhibitory activities of .ALPHA.-cyanocinnamamides.
inferredcites →https://doi.org/10.7164/antibiotics.40.1209openalex-snapshot
Inhibition of tyrosine protein kinase by synthetic erbstatin analogs.

What points at this work

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

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Hydrogen-bonding effects, electrostatic potential, and the antitumor activity of flavone acetic acid and related compounds. II. Ab initio studies on the second stable conformations
inferred← citeshttps://doi.org/10.1002/9783527613106.biblioopenalex-snapshot
Bibliography
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References
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
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Comparative Molecular Field Analysis of Hydrophobicity Descriptors of Cytosine Nucleosides
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Comparative Molecular Field Analysis of HIV‐1 Reverse Transcriptase Inhibitors in the Class of 1[(2‐Hydroxyethoxy)‐methyl]‐6‐(phenylthio)thymine
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_12openalex-snapshot
Comparative molecular field analysis (CoMFA)
inferred← citeshttps://doi.org/10.1007/bf00123997openalex-snapshot
A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors
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Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters
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Drug design for ever, from hype to hope
inferred← citeshttps://doi.org/10.1016/0166-1280(95)04376-4openalex-snapshot
Ab initio calculations on 2-, 3-and 4- substituted quinolines in relation with their activity as protein tyrosine kinase inhibitors
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00266-2openalex-snapshot
Three-Dimensional Quantitative Structure–Activity Relationship: The State of the Art
inferred← citeshttps://doi.org/10.1016/b978-012178245-0/50008-1openalex-snapshot
Modeling Drug–Receptor Interactions
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3D-Quantitative structure–activity relationships of synthetic antileishmanial ring-substituted ether phospholipids
inferred← citeshttps://doi.org/10.1016/s0163-7258(97)00052-1openalex-snapshot
Protein Kinase InhibitorsThe Tyrosine-Specific Protein Kinases
inferred← citeshttps://doi.org/10.1016/s0166-1280(98)00082-7openalex-snapshot
Comparative molecular field analysis of protein tyrosine phosphatase low-molecular-weight substrates
inferred← citeshttps://doi.org/10.1016/s0169-7439(99)00063-5openalex-snapshot
Rational choice of bioactive conformations through use of conformation analysis and 3-way partial least squares modeling
inferred← citeshttps://doi.org/10.1016/s0968-0896(02)00649-1openalex-snapshot
Structure–activity relationships for 1′,1′-dimethylalkyl-Δ8-tetrahydrocannabinols
inferred← citeshttps://doi.org/10.1016/s1874-527x(96)80004-1openalex-snapshot
Comparative molecular field analysis: CoMFA
inferred← citeshttps://doi.org/10.1021/ci034100aopenalex-snapshot
Multimode Ligand Binding in Receptor Site Modeling: Implementation in CoMFA
inferred← citeshttps://doi.org/10.1021/ci049944oopenalex-snapshot
On the Stability of CoMFA Models
inferred← citeshttps://doi.org/10.1021/ci200055sopenalex-snapshot
Rigorous Treatment of Multispecies Multimode Ligand−Receptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin
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Quantum-Chemical Descriptors in QSAR/QSPR Studies
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Synthesis and Structure−Activity Relationships of Amide and Hydrazide Analogues of the Cannabinoid CB1 Receptor Antagonist N-(Piperidinyl)- 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716)
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A Comparative Molecular Field Analysis Study of N-Benzylpiperidines as Acetylcholinesterase Inhibitors
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Arylamide Inhibitors of HIV-1 Integrase
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Three-Dimensional Quantitative Structure−Activity Relationship of Interleukin 1-β Converting Enzyme Inhibitors: A Comparative Molecular Field Analysis Study
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QSAR Analysis of Δ8-THC Analogues: Relationship of Side-Chain Conformation to Cannabinoid Receptor Affinity and Pharmacological Potency
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Derivation of Pharmacophore and CoMFA Models for Leukotriene D4 Receptor Antagonists of the Quinolinyl(bridged)aryl Series
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Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA
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Comparative Molecular Field Analysis of Chlorophenols. application in Ecotoxicology
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Quantitative Structure-Activity Relationship Studies of a Series of Sulfa Drugs as Inhibitors of Pneumocystis carinii Dihydropteroate Synthetase
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The Ryanodine Receptor: A Report from the Ryanoids
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Chemoinformatics: Directions Toward Combating Neglected Diseases
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Quantitative Structure Activity Analysis of Leishmanicidal Compounds
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CURRENT PROGRESS IN STRUCTURE-BASED RATIONAL DRUG DESIGN MARKS A NEW MINDSET IN DRUG DISCOVERY
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