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New Approach to Pharmacophore Mapping and QSAR Analysis Using Inductive Logic Programming. Application to Thermolysin Inhibitors and Glycogen Phosphorylase b 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 structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 Å resolution and 100 K: The role of the water structure and its contribution to binding
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Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
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Quantitative structure-activity relationships by neural networks and inductive logic programming. II. The inhibition of dihydrofolate reductase by triazines
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A crystallographic study of the complex of phosphoramidon with thermolysin. A model for the presumed catalytic transition state and for the binding of extended substrates
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Potent inhibition of glycogen phosphorylase by a spirohydantoin of glucopyranose: First pyranose analogues of hydantocidin
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Binding of the biproduct analog L-benzylsuccinic acid to thermolysin determined by X-ray crystallography.
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The protein data bank: A computer-based archival file for macromolecular structures
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Computer Automated Structure Evaluation (CASE): A study of inhibitors of the thermolysin enzyme
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Inhibition of thermolysin and neutral endopeptidase 24.11 by a novel glutaramide derivative: X-ray structure determination of the thermolysin-inhibitor complex
inferredcites →https://doi.org/10.1021/bi00257a022openalex-snapshot
Structure of a mercaptan-thermolysin complex illustrates mode of inhibition of zinc proteases by substrate-analog mercaptans
inferredcites →https://doi.org/10.1021/bi00257a023openalex-snapshot
Purification of ornithine decarboxylase from kidneys of androgen-treated mice
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Phosphonamidates as transition-state analog inhibitors of thermolysin
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Binding of N-carboxymethyl dipeptide inhibitors to thermolysin determined by x-ray crystallography: a novel class of transition-state analogs for zinc peptidases
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An interactive computer graphics study of thermolysin-catalyzed peptide cleavage and inhibition by N-carboxymethyl dipeptides
inferredcites →https://doi.org/10.1021/bi00400a008openalex-snapshot
Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogs
inferredcites →https://doi.org/10.1021/bi00400a009openalex-snapshot
Possible role for water dissociation in the slow binding of phosphorus-containing transition-state-analog inhibitors of thermolysin
inferredcites →https://doi.org/10.1021/bi00527a026openalex-snapshot
Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis
inferredcites →https://doi.org/10.1021/bi00607a023openalex-snapshot
Peptide hydroxamic acids as inhibitors of thermolysin
inferredcites →https://doi.org/10.1021/bi00607a024openalex-snapshot
Cobalt exchange in horse liver alcohol dehydrogenase
inferredcites →https://doi.org/10.1021/bi00630a030openalex-snapshot
Crystallographic study of the binding of dipeptide inhibitors to thermolysin: implications for the mechanism of catalysis
inferredcites →https://doi.org/10.1021/ci990032+openalex-snapshot
Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/ci9900332openalex-snapshot
Prediction of Ligand−Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
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3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries
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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
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Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b
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Prediction of Ligand−Receptor Binding Thermodynamics by Free Energy Force Field Three-Dimensional Quantitative Structure−Activity Relationship Analysis: Applications to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
inferredcites →https://doi.org/10.1023/a:1007460424845openalex-snapshot
Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL
inferredcites →https://doi.org/10.1038/194178b0openalex-snapshot
Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients
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Beta-Scintillation Counting of Radioactive Tracers Insoluble in Toluene
inferredcites →https://doi.org/10.1073/pnas.89.23.11322openalex-snapshot
Drug design by machine learning: the use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase.
inferredcites →https://doi.org/10.1107/s090744499401348xopenalex-snapshot
Glucose analogue inhibitors of glycogen phosphorylase: from crystallographic analysis to drug prediction using GRID force-field and GOLPE variable selection
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Thermolysin: Kinetic Study with Oligopeptides
inferredcites →https://doi.org/10.1111/j.1432-1033.1986.tb09664.xopenalex-snapshot
Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin
inferredcites →https://doi.org/10.1126/science.3810156openalex-snapshot
Structures of Two Thermolysin-Inhibitor Complexes That Differ by a Single Hydrogen Bond
inferredcites →https://doi.org/10.1126/science.3810157openalex-snapshot
Calculation of the Relative Change in Binding Free Energy of a Protein-Inhibitor Complex
inferredcites →https://doi.org/10.1137/0905052openalex-snapshot
The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Molecular Modeling in Drug Design
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An alignment‐free methodology for modelling field‐based 3D‐structure activity relationships using inductive logic programming
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Prediction of interactiveness between small molecules and enzymes by combining gene ontology and compound similarity
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Comparative Occupancy Analysis (CoOAn) – A Straightforward and Directly Applicable 3D‐QSAR Formalism to Extract Molecular Features Obligatory for Designing Potent Leads
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Crystallographic and computational studies on 4‐phenyl‐N‐(β‐ D ‐glucopyranosyl)‐1H‐1,2,3‐triazole‐1‐acetamide, an inhibitor of glycogen phosphorylase: Comparison with α‐ D ‐glucose, N‐acetyl‐β‐ D ‐glucopyranosylamine and N‐benzoyl‐N′‐β‐ D ‐glucopyranosyl urea binding
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Structure Activity Relationships (SAR) and Pharmacophore Discovery Using Inductive Logic Programming (ILP)
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Status of HTS Data Mining Approaches
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Application of Inductive Logic Programming to Structure-Based Drug Design
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Machine learning and screening data
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Quantitative pharmacophore models with inductive logic programming
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ILP-assisted de novo drug design
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Prediction of compounds’ biological function (metabolic pathways) based on functional group composition
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Prediction of interaction between small molecule and enzyme using AdaBoost
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Pharmacophore Modeling: 1 – Methods
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Pharmacophore Modeling: 1 – Methods
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An approach to identify new antihypertensive agents using Thermolysin as model: In silico study based on QSARINS and docking
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Self-organizing neural networks for pharmacophore mapping
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CoMFA and Docking Studies on Glycogen PhosphorylaseaInhibitors as Antidiabetic Agents
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Passive Lipoidal Diffusion and Carrier-Mediated Cell Uptake Are Both Important Mechanisms of Membrane Permeation in Drug Disposition
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Crystallographic Studies on α- and β-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
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